N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide

C8H19NO3S — CID 63856604

IUPACN-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)CCO
InChIInChI=1S/C8H19NO3S/c1-8(2)4-7-13(11,12)9(3)5-6-10/h8,10H,4-7H2,1-3H3
InChIKeyQTAFZNGWMXNMKH-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.29
Rot. Bonds6

About N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide

N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide (PubChem CID 63856604) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide
PubChem CID63856604
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)CCO
InChIInChI=1S/C8H19NO3S/c1-8(2)4-7-13(11,12)9(3)5-6-10/h8,10H,4-7H2,1-3H3
InChIKeyQTAFZNGWMXNMKH-UHFFFAOYSA-N
XLogP0.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxyethyl)-N,3-dimethylbutane-1-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-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide (CID 63856604) is N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide?
The InChIKey is QTAFZNGWMXNMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(2)4-7-13(11,12)9(3)5-6-10/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide?
N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 63856604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).