N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide

C8H19NO3S — CID 65110441

IUPACN-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO3S/c1-5-8(4,10)6-9-13(11,12)7(2)3/h7,9-10H,5-6H2,1-4H3
InChIKeyQPSZIFWUPVOVDX-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.48
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide

N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide (PubChem CID 65110441) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
PubChem CID65110441
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO3S/c1-5-8(4,10)6-9-13(11,12)7(2)3/h7,9-10H,5-6H2,1-4H3
InChIKeyQPSZIFWUPVOVDX-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-methylbutyl)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 N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide (CID 65110441) is N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide is CCC(C)(O)CNS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide?
The InChIKey is QPSZIFWUPVOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-5-8(4,10)6-9-13(11,12)7(2)3/h7,9-10H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide?
N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 65110441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).