N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide

C19H26N4O3S — CID 157429872

About N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide

N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 157429872) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
• PubChem CID: 157429872
• Molecular Formula: C19H26N4O3S
• Molecular Weight: 390.51 g/mol
• Exact Mass: 390.17
• IUPAC Name: N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
• SMILES: Cc1ccc(N2C[C@H](NS(=O)(=O)Cc3ccc(C(C)C)cc3)[C@@H](O)C2)nn1
• InChI: InChI=1S/C19H26N4O3S/c1-13(2)16-7-5-15(6-8-16)12-27(25,26)22-17-10-23(11-18(17)24)19-9-4-14(3)20-21-19/h4-9,13,17-18,22,24H,10-12H2,1-3H3/t17-,18-/m0/s1
• InChIKey: ZYVJETLAJNGUMC-ROUUACIJSA-N
• XLogP: 1.58
• TPSA: 95.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.51
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide?

The IUPAC name of N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide (CID 157429872) is N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide.

What is the SMILES notation for N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide?

The canonical SMILES for N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide is Cc1ccc(N2C[C@H](NS(=O)(=O)Cc3ccc(C(C)C)cc3)[C@@H](O)C2)nn1.

What is the InChIKey of N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide?

The InChIKey is ZYVJETLAJNGUMC-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13(2)16-7-5-15(6-8-16)12-27(25,26)22-17-10-23(11-18(17)24)19-9-4-14(3)20-21-19/h4-9,13,17-18,22,24H,10-12H2,1-3H3/t17-,18-/m0/s1.

What are the key properties of N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide?

N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 157429872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).