(3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide

C₇H₁₆N₂O₃S — CID 103946762

About (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide

(3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 103946762) has the molecular formula C₇H₁₆N₂O₃S and a molecular weight of 208.28 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

• Compound Name: (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
• PubChem CID: 103946762
• Molecular Formula: C₇H₁₆N₂O₃S
• Molecular Weight: 208.28 g/mol
• Exact Mass: 208.09
• IUPAC Name: (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
• SMILES: CC(C)NS(=O)(=O)N1CC[C@H](O)C1
• InChI: InChI=1S/C7H16N2O3S/c1-6(2)8-13(11,12)9-4-3-7(10)5-9/h6-8,10H,3-5H2,1-2H3/t7-/m0/s1
• InChIKey: IFBVVBRWXBERMH-ZETCQYMHSA-N
• XLogP: -0.70
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.28
LogP ≤ 5	-0.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide?

The IUPAC name of (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 103946762) is (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide.

What is the SMILES notation for (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide?

The canonical SMILES for (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CC[C@H](O)C1.

What is the InChIKey of (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide?

The InChIKey is IFBVVBRWXBERMH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)8-13(11,12)9-4-3-7(10)5-9/h6-8,10H,3-5H2,1-2H3/t7-/m0/s1.

What are the key properties of (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide?

(3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103946762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103946762 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.