N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide

C16H21N3O3S4 — CID 25489580

About N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 25489580) has the molecular formula C16H21N3O3S4 and a molecular weight of 431.63 g/mol. Its IUPAC name is N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
• PubChem CID: 25489580
• Molecular Formula: C16H21N3O3S4
• Molecular Weight: 431.63 g/mol
• Exact Mass: 431.05
• IUPAC Name: N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
• SMILES: Cc1csc(SCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)n1
• InChI: InChI=1S/C16H21N3O3S4/c1-12-10-24-16(18-12)25-11-14(20)19-6-2-4-13(9-19)8-17-26(21,22)15-5-3-7-23-15/h3,5,7,10,13,17H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
• InChIKey: ZCEYBGHROVQTMY-ZDUSSCGKSA-N
• XLogP: 2.82
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.63
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide?

The IUPAC name of N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide (CID 25489580) is N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide is Cc1csc(SCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)n1.

What is the InChIKey of N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide?

The InChIKey is ZCEYBGHROVQTMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3S4/c1-12-10-24-16(18-12)25-11-14(20)19-6-2-4-13(9-19)8-17-26(21,22)15-5-3-7-23-15/h3,5,7,10,13,17H,2,4,6,8-9,11H2,1H3/t13-/m0/s1.

What are the key properties of N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide?

N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 431.63 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 25489580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).