N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide

C8H19NO4S — CID 64722755

IUPACN-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)CCOC
InChIInChI=1S/C8H19NO4S/c1-4-8(2,10)7-9-14(11,12)6-5-13-3/h9-10H,4-7H2,1-3H3
InChIKeyJZMYYHBCBTWKGJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.29
Rot. Bonds7

About N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide

N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide (PubChem CID 64722755) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide
PubChem CID64722755
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)CCOC
InChIInChI=1S/C8H19NO4S/c1-4-8(2,10)7-9-14(11,12)6-5-13-3/h9-10H,4-7H2,1-3H3
InChIKeyJZMYYHBCBTWKGJ-UHFFFAOYSA-N
XLogP-0.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide 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)-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide (CID 64722755) is N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide is CCC(C)(O)CNS(=O)(=O)CCOC.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide?
The InChIKey is JZMYYHBCBTWKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-4-8(2,10)7-9-14(11,12)6-5-13-3/h9-10H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide?
N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 64722755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).