N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide

C15H28N2O3S — CID 94824911

IUPACN-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide
SMILESC[C@@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-13-7-6-11-17(12-8-13)14(18)15(16-21(2,19)20)9-4-3-5-10-15/h13,16H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyLHWOKBOJGGHEON-CYBMUJFWSA-N
MW316.47 g/mol
LogP1.89
Rot. Bonds3

About N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide

N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide (PubChem CID 94824911) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide
PubChem CID94824911
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide
SMILESC[C@@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-13-7-6-11-17(12-8-13)14(18)15(16-21(2,19)20)9-4-3-5-10-15/h13,16H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyLHWOKBOJGGHEON-CYBMUJFWSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide
CID 167978802
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334
1-(methanesulfonamido)cyclohexane-1-carboxamide
CID 47410821
methyl 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 43053414
methyl 2-(4-methylazepan-1-yl)-2-oxoacetate
CID 112617256
[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972017
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
CID 35322838
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide (CID 94824911) is N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide is C[C@@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)CC1.
What is the InChIKey of N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide?
The InChIKey is LHWOKBOJGGHEON-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-13-7-6-11-17(12-8-13)14(18)15(16-21(2,19)20)9-4-3-5-10-15/h13,16H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide?
N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4R)-4-methylazepane-1-carbonyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 94824911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).