N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C16H19N3O3S3 — CID 46593797

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C16H19N3O3S3/c20-15(18-16-17-13(10-24-16)11-5-6-11)12-3-1-7-19(9-12)25(21,22)14-4-2-8-23-14/h2,4,8,10-12H,1,3,5-7,9H2,(H,17,18,20)
InChIKeyXMSSEPCVVZYIKK-UHFFFAOYSA-N
MW397.55 g/mol
LogP3.12
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 46593797) has the molecular formula C16H19N3O3S3 and a molecular weight of 397.55 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID46593797
Molecular FormulaC16H19N3O3S3
Molecular Weight397.55 g/mol
Exact Mass397.06
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C16H19N3O3S3/c20-15(18-16-17-13(10-24-16)11-5-6-11)12-3-1-7-19(9-12)25(21,22)14-4-2-8-23-14/h2,4,8,10-12H,1,3,5-7,9H2,(H,17,18,20)
InChIKeyXMSSEPCVVZYIKK-UHFFFAOYSA-N
XLogP3.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826109
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55414535
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51929683
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 98914630

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 46593797) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1nc(C2CC2)cs1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is XMSSEPCVVZYIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S3/c20-15(18-16-17-13(10-24-16)11-5-6-11)12-3-1-7-19(9-12)25(21,22)14-4-2-8-23-14/h2,4,8,10-12H,1,3,5-7,9H2,(H,17,18,20).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 397.55 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46593797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).