2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one

C27H34N4O5S2 — CID 160810619

About 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one

2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one (PubChem CID 160810619) has the molecular formula C27H34N4O5S2 and a molecular weight of 558.73 g/mol. Its IUPAC name is 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
• PubChem CID: 160810619
• Molecular Formula: C27H34N4O5S2
• Molecular Weight: 558.73 g/mol
• Exact Mass: 558.20
• IUPAC Name: 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
• SMILES: Cc1ncsc1-c1ccc(C2(C)CC(C3CC(O)CN3C(=O)C3N(S(C)(=O)=O)CCC3(C)C)=NC2=O)cc1
• InChI: InChI=1S/C27H34N4O5S2/c1-16-22(37-15-28-16)17-6-8-18(9-7-17)27(4)13-20(29-25(27)34)21-12-19(32)14-30(21)24(33)23-26(2,3)10-11-31(23)38(5,35)36/h6-9,15,19,21,23,32H,10-14H2,1-5H3
• InChIKey: LHXFEUSDTPFRLZ-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 120.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.73
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one?

The IUPAC name of 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one (CID 160810619) is 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one.

What is the SMILES notation for 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one?

The canonical SMILES for 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one is Cc1ncsc1-c1ccc(C2(C)CC(C3CC(O)CN3C(=O)C3N(S(C)(=O)=O)CCC3(C)C)=NC2=O)cc1.

What is the InChIKey of 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one?

The InChIKey is LHXFEUSDTPFRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5S2/c1-16-22(37-15-28-16)17-6-8-18(9-7-17)27(4)13-20(29-25(27)34)21-12-19(32)14-30(21)24(33)23-26(2,3)10-11-31(23)38(5,35)36/h6-9,15,19,21,23,32H,10-14H2,1-5H3.

What are the key properties of 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one?

2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one has a molecular weight of 558.73 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one is sourced from PubChem (CID 160810619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).