(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride

C15H24ClN3O3S2 — CID 119375688

IUPAC(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCC(N)CC2)s1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-11-4-5-14(22-11)23(20,21)18-8-2-3-13(18)15(19)17-9-6-12(16)7-10-17;/h4-5,12-13H,2-3,6-10,16H2,1H3;1H
InChIKeyXBYZDOPTGUWSKS-UHFFFAOYSA-N
MW393.96 g/mol
LogP1.58
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 119375688) has the molecular formula C15H24ClN3O3S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
PubChem CID119375688
Molecular FormulaC15H24ClN3O3S2
Molecular Weight393.96 g/mol
Exact Mass393.09
IUPAC Name(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCC(N)CC2)s1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-11-4-5-14(22-11)23(20,21)18-8-2-3-13(18)15(19)17-9-6-12(16)7-10-17;/h4-5,12-13H,2-3,6-10,16H2,1H3;1H
InChIKeyXBYZDOPTGUWSKS-UHFFFAOYSA-N
XLogP1.58
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161
1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile
CID 49062573
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 120655530
1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167253
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 16801813
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
N-(2-amino-2-phenylethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 119528962
3-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propanoic acid
CID 132970865

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride (CID 119375688) is (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCC(N)CC2)s1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is XBYZDOPTGUWSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2.ClH/c1-11-4-5-14(22-11)23(20,21)18-8-2-3-13(18)15(19)17-9-6-12(16)7-10-17;/h4-5,12-13H,2-3,6-10,16H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119375688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).