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

C16H25N3O3S — CID 120827222

IUPAC1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
SMILESCNC(C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-13(17-2)12-18-16(20)15-10-6-7-11-19(15)23(21,22)14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyPVRCYQLTOIRPHM-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.95
Rot. Bonds6

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

1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide (PubChem CID 120827222) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
PubChem CID120827222
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
SMILESCNC(C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-13(17-2)12-18-16(20)15-10-6-7-11-19(15)23(21,22)14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyPVRCYQLTOIRPHM-UHFFFAOYSA-N
XLogP0.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120652440
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
CID 43017670
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
(2S)-1-(benzenesulfonyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 30837322
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
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-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide (CID 120827222) is 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide is CNC(C)CNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide?
The InChIKey is PVRCYQLTOIRPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13(17-2)12-18-16(20)15-10-6-7-11-19(15)23(21,22)14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 120827222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).