2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide

C19H28ClN5O4S2 — CID 20581012

About 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 20581012) has the molecular formula C19H28ClN5O4S2 and a molecular weight of 490.05 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide
• PubChem CID: 20581012
• Molecular Formula: C19H28ClN5O4S2
• Molecular Weight: 490.05 g/mol
• Exact Mass: 489.13
• IUPAC Name: 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide
• SMILES: O=C1C(NS(=O)(=O)c2cnc(Cl)s2)CCCN1CC(=O)N1CCCC1CN1CCCC1
• InChI: InChI=1S/C19H28ClN5O4S2/c20-19-21-11-17(30-19)31(28,29)22-15-6-4-9-24(18(15)27)13-16(26)25-10-3-5-14(25)12-23-7-1-2-8-23/h11,14-15,22H,1-10,12-13H2
• InChIKey: JQFVURUCCGIBBU-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 102.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.05
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide?

The IUPAC name of 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide (CID 20581012) is 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide?

The canonical SMILES for 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide is O=C1C(NS(=O)(=O)c2cnc(Cl)s2)CCCN1CC(=O)N1CCCC1CN1CCCC1.

What is the InChIKey of 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide?

The InChIKey is JQFVURUCCGIBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O4S2/c20-19-21-11-17(30-19)31(28,29)22-15-6-4-9-24(18(15)27)13-16(26)25-10-3-5-14(25)12-23-7-1-2-8-23/h11,14-15,22H,1-10,12-13H2.

What are the key properties of 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide?

2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 490.05 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-oxo-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]piperidin-3-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 20581012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).