4-hydroxy-2-methylpyrrolidine-1-sulfonamide

C5H12N2O3S — CID 131201314

IUPAC4-hydroxy-2-methylpyrrolidine-1-sulfonamide
SMILESCC1CC(O)CN1S(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-4-2-5(8)3-7(4)11(6,9)10/h4-5,8H,2-3H2,1H3,(H2,6,9,10)
InChIKeyHZNBYFPVSOVLQQ-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.36
Rot. Bonds1

About 4-hydroxy-2-methylpyrrolidine-1-sulfonamide

4-hydroxy-2-methylpyrrolidine-1-sulfonamide (PubChem CID 131201314) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-hydroxy-2-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-2-methylpyrrolidine-1-sulfonamide
PubChem CID131201314
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name4-hydroxy-2-methylpyrrolidine-1-sulfonamide
SMILESCC1CC(O)CN1S(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-4-2-5(8)3-7(4)11(6,9)10/h4-5,8H,2-3H2,1H3,(H2,6,9,10)
InChIKeyHZNBYFPVSOVLQQ-UHFFFAOYSA-N
XLogP-1.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 4-hydroxy-2-methylpyrrolidine-1-sulfonamide (CID 131201314) is 4-hydroxy-2-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-2-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 4-hydroxy-2-methylpyrrolidine-1-sulfonamide is CC1CC(O)CN1S(N)(=O)=O.
What is the InChIKey of 4-hydroxy-2-methylpyrrolidine-1-sulfonamide?
The InChIKey is HZNBYFPVSOVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-4-2-5(8)3-7(4)11(6,9)10/h4-5,8H,2-3H2,1H3,(H2,6,9,10).
What are the key properties of 4-hydroxy-2-methylpyrrolidine-1-sulfonamide?
4-hydroxy-2-methylpyrrolidine-1-sulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 131201314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).