1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide

C9H21NO3S — CID 106331657

IUPAC1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)C(C)CO
InChIInChI=1S/C9H21NO3S/c1-5-9(4,6-2)10-14(12,13)8(3)7-11/h8,10-11H,5-7H2,1-4H3
InChIKeyIGKFLTAZWPQMIY-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.87
Rot. Bonds6

About 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide

1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide (PubChem CID 106331657) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide
PubChem CID106331657
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)C(C)CO
InChIInChI=1S/C9H21NO3S/c1-5-9(4,6-2)10-14(12,13)8(3)7-11/h8,10-11H,5-7H2,1-4H3
InChIKeyIGKFLTAZWPQMIY-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide (CID 106331657) is 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide is CCC(C)(CC)NS(=O)(=O)C(C)CO.
What is the InChIKey of 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide?
The InChIKey is IGKFLTAZWPQMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-5-9(4,6-2)10-14(12,13)8(3)7-11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide?
1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(3-methylpentan-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 106331657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).