1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide

C17H27NO2S — CID 95733759

IUPAC1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
SMILESC[C@@H](CCc1ccccc1)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H27NO2S/c1-15(12-13-16-8-4-2-5-9-16)18-21(19,20)14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3/t15-/m0/s1
InChIKeyQHAHRNJXMHNOGJ-HNNXBMFYSA-N
MW309.47 g/mol
LogP3.51
Rot. Bonds7

About 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide

1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide (PubChem CID 95733759) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
PubChem CID95733759
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
SMILESC[C@@H](CCc1ccccc1)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H27NO2S/c1-15(12-13-16-8-4-2-5-9-16)18-21(19,20)14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3/t15-/m0/s1
InChIKeyQHAHRNJXMHNOGJ-HNNXBMFYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 95733790
3-(diethylsulfamoylamino)butylbenzene
CID 86915461
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
CID 95733842
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide (CID 95733759) is 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide is C[C@@H](CCc1ccccc1)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide?
The InChIKey is QHAHRNJXMHNOGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-15(12-13-16-8-4-2-5-9-16)18-21(19,20)14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3/t15-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide?
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide has a molecular weight of 309.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 95733759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).