NHE
- Molecular formula
- C8 H17 N O3 S
- Molecular weight (g/mol)
- 207.3
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 2
Names & identifiers
- IUPAC name
- 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
- SMILES
- C1CCC(CC1)NCCS(=O)(=O)O
- Isomeric SMILES
- C1CCC(CC1)NCCS(=O)(=O)O
- InChI
- InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
- InChIKey
- MKWKNSIESPFAQN-UHFFFAOYSA-N
- CAS
- 103-47-9
Chemical & physical properties
- HBA
- 3
- HBD
- 2
- TPSA (Ų)
- 66.4
- cLogP
- 0.8
- Chiral atoms
- 0
- Molar refractivity
- 51.29
- Rings
- 1
- Aromatic rings
- 0
- Fraction Csp³
- 1.0
- Formal charge
- 0
Calculated properties
QED0.669
NPScore-0.031341202
SAScore5.394617836