N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide

C6H15NO3S — CID 165122814

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(C)(O)O
InChIInChI=1S/C6H15NO3S/c1-6(2,3)5(8)7-11(4,9)10/h9-10H,1-4H3,(H,7,8)
InChIKeyTZRIDJGBPULIDW-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.44
Rot. Bonds1

About N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide

N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide (PubChem CID 165122814) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide
PubChem CID165122814
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(C)(O)O
InChIInChI=1S/C6H15NO3S/c1-6(2,3)5(8)7-11(4,9)10/h9-10H,1-4H3,(H,7,8)
InChIKeyTZRIDJGBPULIDW-UHFFFAOYSA-N
XLogP1.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide 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-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide (CID 165122814) is N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide?
The InChIKey is TZRIDJGBPULIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-6(2,3)5(8)7-11(4,9)10/h9-10H,1-4H3,(H,7,8).
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide?
N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide has a molecular weight of 181.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165122814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).