3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride

C14H27ClN2O3S — CID 119803169

IUPAC3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCC(N)C1)C1CCCCC1S(C)(=O)=O.Cl
InChIInChI=1S/C14H26N2O3S.ClH/c1-16(14(17)10-7-8-11(15)9-10)12-5-3-4-6-13(12)20(2,18)19;/h10-13H,3-9,15H2,1-2H3;1H
InChIKeyKCCNGKVGTDMGOI-UHFFFAOYSA-N
MW338.90 g/mol
LogP1.35
Rot. Bonds3

About 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119803169) has the molecular formula C14H27ClN2O3S and a molecular weight of 338.90 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119803169
Molecular FormulaC14H27ClN2O3S
Molecular Weight338.90 g/mol
Exact Mass338.14
IUPAC Name3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCC(N)C1)C1CCCCC1S(C)(=O)=O.Cl
InChIInChI=1S/C14H26N2O3S.ClH/c1-16(14(17)10-7-8-11(15)9-10)12-5-3-4-6-13(12)20(2,18)19;/h10-13H,3-9,15H2,1-2H3;1H
InChIKeyKCCNGKVGTDMGOI-UHFFFAOYSA-N
XLogP1.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(2-methylsulfonylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673871
3-amino-N-methyl-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 66008967
3-amino-N-cyclopentyl-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119696942
N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide
CID 119803196
3-amino-N-cyclooctyl-N-methylcyclopentane-1-carboxamide
CID 119763854
3-amino-N-(4,4-dimethylcyclohexyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119791924
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
CID 96535798
2-(1-aminocyclobutyl)-N-methyl-N-(2-methylsulfonylcyclopentyl)acetamide
CID 91659756
2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide
CID 99850023

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride (CID 119803169) is 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride is CN(C(=O)C1CCC(N)C1)C1CCCCC1S(C)(=O)=O.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KCCNGKVGTDMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S.ClH/c1-16(14(17)10-7-8-11(15)9-10)12-5-3-4-6-13(12)20(2,18)19;/h10-13H,3-9,15H2,1-2H3;1H.
What are the key properties of 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119803169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).