1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide

C17H27NO2S — CID 95733790

IUPAC1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)CC2CCCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-3-15-9-11-17(12-10-15)14(2)18-21(19,20)13-16-7-5-4-6-8-16/h9-12,14,16,18H,3-8,13H2,1-2H3/t14-/m0/s1
InChIKeyDEGRVLOTPCJTIM-AWEZNQCLSA-N
MW309.48 g/mol
LogP3.81
Rot. Bonds6

About 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide

1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide (PubChem CID 95733790) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
PubChem CID95733790
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)CC2CCCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-3-15-9-11-17(12-10-15)14(2)18-21(19,20)13-16-7-5-4-6-8-16/h9-12,14,16,18H,3-8,13H2,1-2H3/t14-/m0/s1
InChIKeyDEGRVLOTPCJTIM-AWEZNQCLSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
CID 95733842
N-[1-(4-aminophenyl)ethyl]-1-cyclopropylmethanesulfonamide
CID 64987899
1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 95733802
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
CID 113489748
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
3-cyano-N-[1-(4-ethylphenyl)ethyl]propane-1-sulfonamide
CID 56787518
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide (CID 95733790) is 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide is CCc1ccc([C@H](C)NS(=O)(=O)CC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide?
The InChIKey is DEGRVLOTPCJTIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-15-9-11-17(12-10-15)14(2)18-21(19,20)13-16-7-5-4-6-8-16/h9-12,14,16,18H,3-8,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide?
1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide has a molecular weight of 309.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 95733790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).