(S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide

C17H24N2OS — CID 134916753

IUPAC(S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide
SMILESCC[C@@](C#N)(N[S@@](=O)c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2OS/c1-3-17(13-18,15-7-5-4-6-8-15)19-21(20)16-11-9-14(2)10-12-16/h9-12,15,19H,3-8H2,1-2H3/t17-,21-/m0/s1
InChIKeyPOBOCMPMUTYYMM-UWJYYQICSA-N
MW304.46 g/mol
LogP3.86
Rot. Bonds5

About (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide

(S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide (PubChem CID 134916753) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide
PubChem CID134916753
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name(S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide
SMILESCC[C@@](C#N)(N[S@@](=O)c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2OS/c1-3-17(13-18,15-7-5-4-6-8-15)19-21(20)16-11-9-14(2)10-12-16/h9-12,15,19H,3-8H2,1-2H3/t17-,21-/m0/s1
InChIKeyPOBOCMPMUTYYMM-UWJYYQICSA-N
XLogP3.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide 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 (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide?
The IUPAC name of (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide (CID 134916753) is (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide is CC[C@@](C#N)(N[S@@](=O)c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide?
The InChIKey is POBOCMPMUTYYMM-UWJYYQICSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-17(13-18,15-7-5-4-6-8-15)19-21(20)16-11-9-14(2)10-12-16/h9-12,15,19H,3-8H2,1-2H3/t17-,21-/m0/s1.
What are the key properties of (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide?
(S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide has a molecular weight of 304.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-cyano-1-cyclohexylpropyl]-4-methylbenzenesulfinamide is sourced from PubChem (CID 134916753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).