N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H29N3O3S — CID 3258470

IUPACN-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCN2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-22(20,21)18-11-6-14(7-12-18)15(19)16-8-13-17-9-4-2-3-5-10-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyUSGDZDVEIXGHDY-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.65
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 3258470) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID3258470
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCN2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-22(20,21)18-11-6-14(7-12-18)15(19)16-8-13-17-9-4-2-3-5-10-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyUSGDZDVEIXGHDY-UHFFFAOYSA-N
XLogP0.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-[3-(1-azepanyl)propyl]-1-ethylsulfonyl-4-piperidinecarboxamide
CID 3244583
1-(azepan-1-ylsulfonyl)-N-butylpiperidine-4-carboxamide
CID 4673656
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
N-methyl-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081282
N-[3-(diethylamino)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 4087817
1-(ethylsulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 4580597
1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 3152846
N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide
CID 892626
1-(methylsulfonyl)-N-propylpiperidine-4-carboxamide
CID 3152848
N-butyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3469525

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 3258470) is N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCN2CCCCCC2)CC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is USGDZDVEIXGHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-22(20,21)18-11-6-14(7-12-18)15(19)16-8-13-17-9-4-2-3-5-10-17/h14H,2-13H2,1H3,(H,16,19).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3258470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).