3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one

C16H18N2O4S2 — CID 121150388

About 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one

3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one (PubChem CID 121150388) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 121150388
• Molecular Formula: C16H18N2O4S2
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.07
• IUPAC Name: 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
• SMILES: O=C(CCS(=O)(=O)c1ccccc1)N1CCC(Oc2nccs2)C1
• InChI: InChI=1S/C16H18N2O4S2/c19-15(7-11-24(20,21)14-4-2-1-3-5-14)18-9-6-13(12-18)22-16-17-8-10-23-16/h1-5,8,10,13H,6-7,9,11-12H2
• InChIKey: GGOBSJDUUBJYID-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 76.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one (CID 121150388) is 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one is O=C(CCS(=O)(=O)c1ccccc1)N1CCC(Oc2nccs2)C1.

What is the InChIKey of 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one?

The InChIKey is GGOBSJDUUBJYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-15(7-11-24(20,21)14-4-2-1-3-5-14)18-9-6-13(12-18)22-16-17-8-10-23-16/h1-5,8,10,13H,6-7,9,11-12H2.

What are the key properties of 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one?

3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one has a molecular weight of 366.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 121150388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).