N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide

C14H26N2O3S — CID 774769

IUPACN-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O3S/c1-20(18,19)16-10-8-12(9-11-16)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyHEXAJWUUSBEIPR-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.50
Rot. Bonds3

About N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 774769) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID774769
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O3S/c1-20(18,19)16-10-8-12(9-11-16)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyHEXAJWUUSBEIPR-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3563261
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
CID 81123219
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55905233
N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085415
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide (CID 774769) is N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is HEXAJWUUSBEIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-20(18,19)16-10-8-12(9-11-16)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 774769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).