1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide

C16H25NO4S2 — CID 95733842

IUPAC1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H25NO4S2/c1-13(15-8-10-16(11-9-15)22(2,18)19)17-23(20,21)12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3/t13-/m1/s1
InChIKeyMQZVBARLKSTRCF-CYBMUJFWSA-N
MW359.51 g/mol
LogP2.65
Rot. Bonds6

About 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide

1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide (PubChem CID 95733842) has the molecular formula C16H25NO4S2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
PubChem CID95733842
Molecular FormulaC16H25NO4S2
Molecular Weight359.51 g/mol
Exact Mass359.12
IUPAC Name1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H25NO4S2/c1-13(15-8-10-16(11-9-15)22(2,18)19)17-23(20,21)12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3/t13-/m1/s1
InChIKeyMQZVBARLKSTRCF-CYBMUJFWSA-N
XLogP2.65
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 95733790
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
N-[1-(4-aminophenyl)ethyl]-1-cyclopropylmethanesulfonamide
CID 64987899
1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 95733802
3-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]propane-1-sulfonamide
CID 43654382
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456
1-(4-methylsulfonylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80595105
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
1-cyclopentyl-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]methanesulfonamide
CID 125447729

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide (CID 95733842) is 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide is C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide?
The InChIKey is MQZVBARLKSTRCF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO4S2/c1-13(15-8-10-16(11-9-15)22(2,18)19)17-23(20,21)12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide?
1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide has a molecular weight of 359.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 95733842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).