2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide

C7H15NO4S — CID 174355180

IUPAC2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide
SMILESCCC(C)(CO)C(=O)NS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-4-7(2,5-9)6(10)8-13(3,11)12/h9H,4-5H2,1-3H3,(H,8,10)
InChIKeyBOXHAOWACDOTGJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.53
Rot. Bonds4

About 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide

2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide (PubChem CID 174355180) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide
PubChem CID174355180
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide
SMILESCCC(C)(CO)C(=O)NS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-4-7(2,5-9)6(10)8-13(3,11)12/h9H,4-5H2,1-3H3,(H,8,10)
InChIKeyBOXHAOWACDOTGJ-UHFFFAOYSA-N
XLogP-0.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide
CID 138744699
2-ethyl-2-methylpropane-1,3-diol;methanesulfonic acid
CID 71389262
2-methyl-N-methylsulfonylbutanamide
CID 18336288
N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide
CID 115776855
2,2-dimethylhexan-3-yl N-methylsulfonylcarbamate
CID 175168150
3-methylpentan-3-yl 2-(methanesulfonamidomethyl)-2-methylbutanoate
CID 174355131
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619
2-amino-N-methylsulfonylbutanamide
CID 103287489
6-ethyl-6-methyloctane-2,5-dione
CID 90109634
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498
2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide
CID 58895987

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide (CID 174355180) is 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide is CCC(C)(CO)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide?
The InChIKey is BOXHAOWACDOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-4-7(2,5-9)6(10)8-13(3,11)12/h9H,4-5H2,1-3H3,(H,8,10).
What are the key properties of 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide?
2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide has a molecular weight of 209.27 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 174355180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).