1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

C15H24ClN3O3S2 — CID 119454013

IUPAC1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCNC3)C2)s1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-11-4-5-14(22-11)23(20,21)18-8-2-3-12(10-18)15(19)17-13-6-7-16-9-13;/h4-5,12-13,16H,2-3,6-10H2,1H3,(H,17,19);1H
InChIKeyNULQKLMKCIBNMJ-UHFFFAOYSA-N
MW393.96 g/mol
LogP1.36
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119454013) has the molecular formula C15H24ClN3O3S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119454013
Molecular FormulaC15H24ClN3O3S2
Molecular Weight393.96 g/mol
Exact Mass393.09
IUPAC Name1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCNC3)C2)s1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-11-4-5-14(22-11)23(20,21)18-8-2-3-12(10-18)15(19)17-13-6-7-16-9-13;/h4-5,12-13,16H,2-3,6-10H2,1H3,(H,17,19);1H
InChIKeyNULQKLMKCIBNMJ-UHFFFAOYSA-N
XLogP1.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 51729832
(2-methylpiperazin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119473386
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119612285
N-[3-(aminomethyl)pentan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119571833
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
1,4-diazepan-1-yl-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119418448
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 52908764
N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
CID 46521967
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (CID 119454013) is 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCNC3)C2)s1.Cl.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is NULQKLMKCIBNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2.ClH/c1-11-4-5-14(22-11)23(20,21)18-8-2-3-12(10-18)15(19)17-13-6-7-16-9-13;/h4-5,12-13,16H,2-3,6-10H2,1H3,(H,17,19);1H.
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119454013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).