1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide

C17H26N2O3S — CID 3156759

IUPAC1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide
SMILESCCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-7-14(2)18-17(20)15-10-12-19(13-11-15)23(21,22)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3,(H,18,20)
InChIKeyNKDBUUVZVPDJTQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.39
Rot. Bonds6

About 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide (PubChem CID 3156759) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide
PubChem CID3156759
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide
SMILESCCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-7-14(2)18-17(20)15-10-12-19(13-11-15)23(21,22)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3,(H,18,20)
InChIKeyNKDBUUVZVPDJTQ-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide (CID 3156759) is 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide is CCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide?
The InChIKey is NKDBUUVZVPDJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-7-14(2)18-17(20)15-10-12-19(13-11-15)23(21,22)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3,(H,18,20).
What are the key properties of 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-pentan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3156759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).