1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C12H19N3O3S2 — CID 47387426

IUPAC1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-2-9-20(17,18)15-6-3-10(4-7-15)11(16)14-12-13-5-8-19-12/h5,8,10H,2-4,6-7,9H2,1H3,(H,13,14,16)
InChIKeyNGDFLWQPOJYCET-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.53
Rot. Bonds5

About 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 47387426) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID47387426
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-2-9-20(17,18)15-6-3-10(4-7-15)11(16)14-12-13-5-8-19-12/h5,8,10H,2-4,6-7,9H2,1H3,(H,13,14,16)
InChIKeyNGDFLWQPOJYCET-UHFFFAOYSA-N
XLogP1.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18082310
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822373
1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6471356
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
1-(2-methylsulfanylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16828269
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95274519
2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90618011
1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51092852
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 47387426) is 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is NGDFLWQPOJYCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-2-9-20(17,18)15-6-3-10(4-7-15)11(16)14-12-13-5-8-19-12/h5,8,10H,2-4,6-7,9H2,1H3,(H,13,14,16).
What are the key properties of 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47387426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).