N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C15H19N3O3S3 — CID 43073356

IUPACN-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H19N3O3S3/c1-24(20,21)16-8-12-4-2-3-6-18(12)15(19)13-10-23-14(17-13)11-5-7-22-9-11/h5,7,9-10,12,16H,2-4,6,8H2,1H3
InChIKeyZSTJUWLCERLXKX-UHFFFAOYSA-N
MW385.54 g/mol
LogP2.42
Rot. Bonds5

About N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073356) has the molecular formula C15H19N3O3S3 and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073356
Molecular FormulaC15H19N3O3S3
Molecular Weight385.54 g/mol
Exact Mass385.06
IUPAC NameN-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H19N3O3S3/c1-24(20,21)16-8-12-4-2-3-6-18(12)15(19)13-10-23-14(17-13)11-5-7-22-9-11/h5,7,9-10,12,16H,2-4,6,8H2,1H3
InChIKeyZSTJUWLCERLXKX-UHFFFAOYSA-N
XLogP2.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 43073356) is N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is ZSTJUWLCERLXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S3/c1-24(20,21)16-8-12-4-2-3-6-18(12)15(19)13-10-23-14(17-13)11-5-7-22-9-11/h5,7,9-10,12,16H,2-4,6,8H2,1H3.
What are the key properties of N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 385.54 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).