N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide

C13H24N2O3S — CID 119803196

IUPACN-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCNC1)C1CCCCC1S(C)(=O)=O
InChIInChI=1S/C13H24N2O3S/c1-15(13(16)10-7-8-14-9-10)11-5-3-4-6-12(11)19(2,17)18/h10-12,14H,3-9H2,1-2H3
InChIKeyHQGDLDPPGAGJHV-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.41
Rot. Bonds3

About N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide

N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide (PubChem CID 119803196) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide
PubChem CID119803196
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCNC1)C1CCCCC1S(C)(=O)=O
InChIInChI=1S/C13H24N2O3S/c1-15(13(16)10-7-8-14-9-10)11-5-3-4-6-12(11)19(2,17)18/h10-12,14H,3-9H2,1-2H3
InChIKeyHQGDLDPPGAGJHV-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.41
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-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119803169
(3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 81129419
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 119803178
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260
cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
CID 177005866
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
CID 96535798
N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
CID 55149876

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide (CID 119803196) is N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide is CN(C(=O)C1CCNC1)C1CCCCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide?
The InChIKey is HQGDLDPPGAGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-15(13(16)10-7-8-14-9-10)11-5-3-4-6-12(11)19(2,17)18/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide?
N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119803196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).