(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide

C13H27NO2S — CID 124727118

IUPAC(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
SMILESCC[C@H](C)CS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
InChIInChI=1S/C13H27NO2S/c1-5-10(2)9-17(15,16)14-13-8-6-7-11(3)12(13)4/h10-14H,5-9H2,1-4H3/t10-,11+,12+,13+/m0/s1
InChIKeyCOQIICRPRFYAKG-UMSGYPCISA-N
MW261.43 g/mol
LogP2.78
Rot. Bonds5

About (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide

(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide (PubChem CID 124727118) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
PubChem CID124727118
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
SMILESCC[C@H](C)CS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
InChIInChI=1S/C13H27NO2S/c1-5-10(2)9-17(15,16)14-13-8-6-7-11(3)12(13)4/h10-14H,5-9H2,1-4H3/t10-,11+,12+,13+/m0/s1
InChIKeyCOQIICRPRFYAKG-UMSGYPCISA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
CID 54973707
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
CID 106060304
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306
(1R,2S,3R)-1-[[butyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane
CID 99849696
N-(2-methylbutylsulfonyl)cyclobutanecarboxamide
CID 71931535
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
2-methyl-N-(5-methylheptan-3-yl)cyclopentan-1-amine
CID 63277446
N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide
CID 119985622
2,3-dimethyl-N-(4-methylsulfonylbutan-2-yl)cyclohexan-1-amine
CID 119039306

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide?
The IUPAC name of (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide (CID 124727118) is (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide?
The canonical SMILES for (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide is CC[C@H](C)CS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C.
What is the InChIKey of (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide?
The InChIKey is COQIICRPRFYAKG-UMSGYPCISA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-10(2)9-17(15,16)14-13-8-6-7-11(3)12(13)4/h10-14H,5-9H2,1-4H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide?
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 124727118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).