1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide

C16H24N2O3S — CID 42897553

IUPAC1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide
SMILESCCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-2-3-12-17-16(19)15-11-7-8-13-18(15)22(20,21)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3,(H,17,19)
InChIKeySVCLSFSGRLVAQK-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.15
Rot. Bonds6

About 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide

1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide (PubChem CID 42897553) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide
PubChem CID42897553
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide
SMILESCCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-2-3-12-17-16(19)15-11-7-8-13-18(15)22(20,21)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3,(H,17,19)
InChIKeySVCLSFSGRLVAQK-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide (CID 42897553) is 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide is CCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide?
The InChIKey is SVCLSFSGRLVAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-3-12-17-16(19)15-11-7-8-13-18(15)22(20,21)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3,(H,17,19).
What are the key properties of 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide?
1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide is sourced from PubChem (CID 42897553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).