1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide

C17H27N3O3S — CID 78781172

IUPAC1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
SMILESCN(C)CCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H27N3O3S/c1-19(2)13-8-12-18-17(21)16-11-6-7-14-20(16)24(22,23)15-9-4-3-5-10-15/h3-5,9-10,16H,6-8,11-14H2,1-2H3,(H,18,21)
InChIKeyPLLRQDKQAOHASY-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.30
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide (PubChem CID 78781172) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
PubChem CID78781172
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
SMILESCN(C)CCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H27N3O3S/c1-19(2)13-8-12-18-17(21)16-11-6-7-14-20(16)24(22,23)15-9-4-3-5-10-15/h3-5,9-10,16H,6-8,11-14H2,1-2H3,(H,18,21)
InChIKeyPLLRQDKQAOHASY-UHFFFAOYSA-N
XLogP1.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119509273
propan-2-yl 3-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]propanoate
CID 51276172
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-(2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 42907960
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide
CID 171136980

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide (CID 78781172) is 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide is CN(C)CCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide?
The InChIKey is PLLRQDKQAOHASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(2)13-8-12-18-17(21)16-11-6-7-14-20(16)24(22,23)15-9-4-3-5-10-15/h3-5,9-10,16H,6-8,11-14H2,1-2H3,(H,18,21).
What are the key properties of 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 78781172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).