(R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide

C19H28ClNO2S — CID 24862091

IUPAC(R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H]1CCCC(=O)[C@@H]1[C@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H28ClNO2S/c1-5-13-7-6-8-16(22)17(13)18(21-24(23)19(2,3)4)14-9-11-15(20)12-10-14/h9-13,17-18,21H,5-8H2,1-4H3/t13-,17+,18+,24+/m0/s1
InChIKeyWWZXPCDYGPIKAT-NZSFHEPYSA-N
MW369.96 g/mol
LogP4.83
Rot. Bonds5

About (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 24862091) has the molecular formula C19H28ClNO2S and a molecular weight of 369.96 g/mol. Its IUPAC name is (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID24862091
Molecular FormulaC19H28ClNO2S
Molecular Weight369.96 g/mol
Exact Mass369.15
IUPAC Name(R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H]1CCCC(=O)[C@@H]1[C@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H28ClNO2S/c1-5-13-7-6-8-16(22)17(13)18(21-24(23)19(2,3)4)14-9-11-15(20)12-10-14/h9-13,17-18,21H,5-8H2,1-4H3/t13-,17+,18+,24+/m0/s1
InChIKeyWWZXPCDYGPIKAT-NZSFHEPYSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.96
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide 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 (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide (CID 24862091) is (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide is CC[C@H]1CCCC(=O)[C@@H]1[C@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WWZXPCDYGPIKAT-NZSFHEPYSA-N. The full InChI is InChI=1S/C19H28ClNO2S/c1-5-13-7-6-8-16(22)17(13)18(21-24(23)19(2,3)4)14-9-11-15(20)12-10-14/h9-13,17-18,21H,5-8H2,1-4H3/t13-,17+,18+,24+/m0/s1.
What are the key properties of (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 369.96 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-(4-chlorophenyl)-[(1S,2S)-2-ethyl-6-oxocyclohexyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 24862091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).