1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride

C15H24ClN3O3S — CID 119500164

IUPAC1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-16-10-11-17-15(19)14-9-5-6-12-18(14)22(20,21)13-7-3-2-4-8-13;/h2-4,7-8,14,16H,5-6,9-12H2,1H3,(H,17,19);1H
InChIKeyDPQZYTMPDOTLHX-UHFFFAOYSA-N
MW361.90 g/mol
LogP0.99
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride

1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119500164) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119500164
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-16-10-11-17-15(19)14-9-5-6-12-18(14)22(20,21)13-7-3-2-4-8-13;/h2-4,7-8,14,16H,5-6,9-12H2,1H3,(H,17,19);1H
InChIKeyDPQZYTMPDOTLHX-UHFFFAOYSA-N
XLogP0.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119502993
1-(benzenesulfonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119509273
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
CID 78781172
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-(2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 42907960
propan-2-yl 3-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]propanoate
CID 51276172
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119533650

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119500164) is 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride is CNCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is DPQZYTMPDOTLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-16-10-11-17-15(19)14-9-5-6-12-18(14)22(20,21)13-7-3-2-4-8-13;/h2-4,7-8,14,16H,5-6,9-12H2,1H3,(H,17,19);1H.
What are the key properties of 1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride?
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 0.99, 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)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119500164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).