N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide

C17H27NO2S — CID 134950538

IUPACN-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCC[C@@H]1CC(NS(=O)(=O)c2ccc(C)cc2)CCC1(C)C
InChIInChI=1S/C17H27NO2S/c1-5-14-12-15(10-11-17(14,3)4)18-21(19,20)16-8-6-13(2)7-9-16/h6-9,14-15,18H,5,10-12H2,1-4H3/t14-,15?/m1/s1
InChIKeySTQCXHATNSVLCJ-GICMACPYSA-N
MW309.48 g/mol
LogP3.88
Rot. Bonds4

About N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide

N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 134950538) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide
PubChem CID134950538
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCC[C@@H]1CC(NS(=O)(=O)c2ccc(C)cc2)CCC1(C)C
InChIInChI=1S/C17H27NO2S/c1-5-14-12-15(10-11-17(14,3)4)18-21(19,20)16-8-6-13(2)7-9-16/h6-9,14-15,18H,5,10-12H2,1-4H3/t14-,15?/m1/s1
InChIKeySTQCXHATNSVLCJ-GICMACPYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 63625036
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
trans-(1R,3R)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 6943892
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide
CID 164862538
4-(trifluoromethoxy)-N-(3,4,4-trimethylcyclohexyl)benzenesulfonamide
CID 164862828
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
CID 134926580
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid
CID 67899502

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide (CID 134950538) is N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide is CC[C@@H]1CC(NS(=O)(=O)c2ccc(C)cc2)CCC1(C)C.
What is the InChIKey of N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is STQCXHATNSVLCJ-GICMACPYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-5-14-12-15(10-11-17(14,3)4)18-21(19,20)16-8-6-13(2)7-9-16/h6-9,14-15,18H,5,10-12H2,1-4H3/t14-,15?/m1/s1.
What are the key properties of N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide?
N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 309.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134950538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).