(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide

C17H19FN4O4S2 — CID 40917187

About (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide

(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide (PubChem CID 40917187) has the molecular formula C17H19FN4O4S2 and a molecular weight of 426.50 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
• PubChem CID: 40917187
• Molecular Formula: C17H19FN4O4S2
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.08
• IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
• SMILES: O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1
• InChI: InChI=1S/C17H19FN4O4S2/c18-13-3-5-14(6-4-13)28(25,26)22-8-1-2-12(11-22)16(24)20-10-15(23)21-17-19-7-9-27-17/h3-7,9,12H,1-2,8,10-11H2,(H,20,24)(H,19,21,23)/t12-/m0/s1
• InChIKey: MATTXNMYQRXJLZ-LBPRGKRZSA-N
• XLogP: 1.44
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide (CID 40917187) is (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide is O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1.

What is the InChIKey of (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide?

The InChIKey is MATTXNMYQRXJLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN4O4S2/c18-13-3-5-14(6-4-13)28(25,26)22-8-1-2-12(11-22)16(24)20-10-15(23)21-17-19-7-9-27-17/h3-7,9,12H,1-2,8,10-11H2,(H,20,24)(H,19,21,23)/t12-/m0/s1.

What are the key properties of (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide?

(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 40917187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).