NWP
- Molecular formula
- C9 H20 N2 O3 S
- Molecular weight (g/mol)
- 236.34
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
- SMILES
- CC1CN(CCO1)S(=O)(=O)N(C)C(C)C
- Isomeric SMILES
- C[C@@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C
- InChI
- InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m1/s1
- InChIKey
- XYVINBFQYYSZBX-SECBINFHSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 0
- TPSA (Ų)
- 49.85
- cLogP
- 0.29
- Chiral atoms
- 1
- Molar refractivity
- 58.81
- Rings
- 1
- Aromatic rings
- 0
- Fraction Csp³
- 1.0
- Formal charge
- 0
Calculated properties
QED0.708
NPScore-0.302499103
SAScore7.202759109