N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide

C15H21NO3S — CID 121496267

IUPACN-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCNC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-16-14(17)15(10-4-3-5-11-15)12-6-8-13(9-7-12)20(2,18)19/h6-9H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyJLOKUCRFIKROTF-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.04
Rot. Bonds3

About N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide

N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide (PubChem CID 121496267) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
PubChem CID121496267
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCNC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-16-14(17)15(10-4-3-5-11-15)12-6-8-13(9-7-12)20(2,18)19/h6-9H,3-5,10-11H2,1-2H3,(H,16,17)
InChIKeyJLOKUCRFIKROTF-UHFFFAOYSA-N
XLogP2.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 118770787
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 134695580
1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 118761633
4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
CID 34969110
N-(1-imidazol-1-ylbutan-2-yl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 131931140
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
CID 46378340
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methylsulfonylphenyl)cyclohexyl]methanone
CID 155505570
[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 118796209
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
CID 91776270

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide (CID 121496267) is N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide is CNC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1.
What is the InChIKey of N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The InChIKey is JLOKUCRFIKROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-16-14(17)15(10-4-3-5-11-15)12-6-8-13(9-7-12)20(2,18)19/h6-9H,3-5,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 121496267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).