[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride

C15H24ClN3O3S2 — CID 119488448

IUPAC[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-16-12-5-4-7-17(11-12)15(19)14-13(6-10-22-14)23(20,21)18-8-2-3-9-18;/h6,10,12,16H,2-5,7-9,11H2,1H3;1H
InChIKeyMPVHLHLCIULLLX-UHFFFAOYSA-N
MW393.96 g/mol
LogP1.78
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride (PubChem CID 119488448) has the molecular formula C15H24ClN3O3S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
PubChem CID119488448
Molecular FormulaC15H24ClN3O3S2
Molecular Weight393.96 g/mol
Exact Mass393.09
IUPAC Name[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-16-12-5-4-7-17(11-12)15(19)14-13(6-10-22-14)23(20,21)18-8-2-3-9-18;/h6,10,12,16H,2-5,7-9,11H2,1H3;1H
InChIKeyMPVHLHLCIULLLX-UHFFFAOYSA-N
XLogP1.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488818
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579291
[3-(aminomethyl)pyrrolidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119483874
(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 119488013
1,4-diazepan-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414812
2,2-dimethyl-1-[4-(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55588563
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532948
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55497694

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride (CID 119488448) is [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride is CNC1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is MPVHLHLCIULLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2.ClH/c1-16-12-5-4-7-17(11-12)15(19)14-13(6-10-22-14)23(20,21)18-8-2-3-9-18;/h6,10,12,16H,2-5,7-9,11H2,1H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119488448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).