(2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol

C16H25NO3S — CID 86790118

IUPAC(2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol
SMILESCc1ccc(S(=O)(=O)C2CCCCC2NC[C@@H](C)O)cc1
InChIInChI=1S/C16H25NO3S/c1-12-7-9-14(10-8-12)21(19,20)16-6-4-3-5-15(16)17-11-13(2)18/h7-10,13,15-18H,3-6,11H2,1-2H3/t13-,15?,16?/m1/s1
InChIKeyWNOOPIIJSASNCD-IUDNXUCKSA-N
MW311.45 g/mol
LogP2.05
Rot. Bonds5

About (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol

(2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol (PubChem CID 86790118) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol
PubChem CID86790118
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name(2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol
SMILESCc1ccc(S(=O)(=O)C2CCCCC2NC[C@@H](C)O)cc1
InChIInChI=1S/C16H25NO3S/c1-12-7-9-14(10-8-12)21(19,20)16-6-4-3-5-15(16)17-11-13(2)18/h7-10,13,15-18H,3-6,11H2,1-2H3/t13-,15?,16?/m1/s1
InChIKeyWNOOPIIJSASNCD-IUDNXUCKSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol (CID 86790118) is (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol is Cc1ccc(S(=O)(=O)C2CCCCC2NC[C@@H](C)O)cc1.
What is the InChIKey of (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol?
The InChIKey is WNOOPIIJSASNCD-IUDNXUCKSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12-7-9-14(10-8-12)21(19,20)16-6-4-3-5-15(16)17-11-13(2)18/h7-10,13,15-18H,3-6,11H2,1-2H3/t13-,15?,16?/m1/s1.
What are the key properties of (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol?
(2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol has a molecular weight of 311.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 86790118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).