2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide

C17H31N3O3S — CID 47766349

IUPAC2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)N2CCCC2C2CCCCC2)C1
InChIInChI=1S/C17H31N3O3S/c1-24(22,23)19-11-5-9-15(13-19)18-17(21)20-12-6-10-16(20)14-7-3-2-4-8-14/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyKHKLECBSIPPVDE-UHFFFAOYSA-N
MW357.52 g/mol
LogP2.16
Rot. Bonds3

About 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide

2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 47766349) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
PubChem CID47766349
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC Name2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)N2CCCC2C2CCCCC2)C1
InChIInChI=1S/C17H31N3O3S/c1-24(22,23)19-11-5-9-15(13-19)18-17(21)20-12-6-10-16(20)14-7-3-2-4-8-14/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyKHKLECBSIPPVDE-UHFFFAOYSA-N
XLogP2.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
N-cyclohexyl-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 127710002
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47765378
3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
CID 47766211
N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 47766348
N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
CID 116658214
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide (CID 47766349) is 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)N2CCCC2C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is KHKLECBSIPPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-24(22,23)19-11-5-9-15(13-19)18-17(21)20-12-6-10-16(20)14-7-3-2-4-8-14/h14-16H,2-13H2,1H3,(H,18,21).
What are the key properties of 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide?
2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47766349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).