1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride

C18H28ClN3O3S — CID 119533650

IUPAC1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H27N3O3S.ClH/c22-18(20-12-10-15-9-11-19-14-15)17-8-4-5-13-21(17)25(23,24)16-6-2-1-3-7-16;/h1-3,6-7,15,17,19H,4-5,8-14H2,(H,20,22);1H
InChIKeyKMYWUTLVSWGAPL-UHFFFAOYSA-N
MW401.96 g/mol
LogP1.77
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride

1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119533650) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119533650
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H27N3O3S.ClH/c22-18(20-12-10-15-9-11-19-14-15)17-8-4-5-13-21(17)25(23,24)16-6-2-1-3-7-16;/h1-3,6-7,15,17,19H,4-5,8-14H2,(H,20,22);1H
InChIKeyKMYWUTLVSWGAPL-UHFFFAOYSA-N
XLogP1.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119559231
N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119533743
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119557408
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119555303
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
CID 78781172
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119535384

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride (CID 119533650) is 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is KMYWUTLVSWGAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c22-18(20-12-10-15-9-11-19-14-15)17-8-4-5-13-21(17)25(23,24)16-6-2-1-3-7-16;/h1-3,6-7,15,17,19H,4-5,8-14H2,(H,20,22);1H.
What are the key properties of 1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 1.77, 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-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119533650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).