N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C13H15N3O3S3 — CID 16826163

IUPACN-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C13H15N3O3S3/c17-12(15-13-14-5-8-21-13)10-3-1-6-16(9-10)22(18,19)11-4-2-7-20-11/h2,4-5,7-8,10H,1,3,6,9H2,(H,14,15,17)
InChIKeyZEJIRIINQSRTIQ-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.24
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 16826163) has the molecular formula C13H15N3O3S3 and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID16826163
Molecular FormulaC13H15N3O3S3
Molecular Weight357.48 g/mol
Exact Mass357.03
IUPAC NameN-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C13H15N3O3S3/c17-12(15-13-14-5-8-21-13)10-3-1-6-16(9-10)22(18,19)11-4-2-7-20-11/h2,4-5,7-8,10H,1,3,6,9H2,(H,14,15,17)
InChIKeyZEJIRIINQSRTIQ-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55976325
(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9325562
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-(1-pyridin-4-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18160601
(3R)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51929683

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 16826163) is N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZEJIRIINQSRTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S3/c17-12(15-13-14-5-8-21-13)10-3-1-6-16(9-10)22(18,19)11-4-2-7-20-11/h2,4-5,7-8,10H,1,3,6,9H2,(H,14,15,17).
What are the key properties of N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16826163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).