N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

C17H21N3O3S3 — CID 53149396

IUPACN-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1csc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1)C1CC1
InChIInChI=1S/C17H21N3O3S3/c21-16(12-3-4-12)18-10-14-11-25-17(19-14)13-5-7-20(8-6-13)26(22,23)15-2-1-9-24-15/h1-2,9,11-13H,3-8,10H2,(H,18,21)
InChIKeyCOSPBLKNGCHKAC-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.80
Rot. Bonds6

About N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 53149396) has the molecular formula C17H21N3O3S3 and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID53149396
Molecular FormulaC17H21N3O3S3
Molecular Weight411.57 g/mol
Exact Mass411.07
IUPAC NameN-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1csc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1)C1CC1
InChIInChI=1S/C17H21N3O3S3/c21-16(12-3-4-12)18-10-14-11-25-17(19-14)13-5-7-20(8-6-13)26(22,23)15-2-1-9-24-15/h1-2,9,11-13H,3-8,10H2,(H,18,21)
InChIKeyCOSPBLKNGCHKAC-UHFFFAOYSA-N
XLogP2.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (CID 53149396) is N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is O=C(NCc1csc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1)C1CC1.
What is the InChIKey of N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is COSPBLKNGCHKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S3/c21-16(12-3-4-12)18-10-14-11-25-17(19-14)13-5-7-20(8-6-13)26(22,23)15-2-1-9-24-15/h1-2,9,11-13H,3-8,10H2,(H,18,21).
What are the key properties of N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 411.57 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 53149396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).