1-(methylsulfamoylamino)propan-2-one

C4H10N2O3S — CID 58997407

IUPAC1-(methylsulfamoylamino)propan-2-one
SMILESCNS(=O)(=O)NCC(C)=O
InChIInChI=1S/C4H10N2O3S/c1-4(7)3-6-10(8,9)5-2/h5-6H,3H2,1-2H3
InChIKeyWIIFVKNHYCEORL-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.37
Rot. Bonds4

About 1-(methylsulfamoylamino)propan-2-one

1-(methylsulfamoylamino)propan-2-one (PubChem CID 58997407) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)propan-2-one.

Molecular Properties

Compound Name1-(methylsulfamoylamino)propan-2-one
PubChem CID58997407
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name1-(methylsulfamoylamino)propan-2-one
SMILESCNS(=O)(=O)NCC(C)=O
InChIInChI=1S/C4H10N2O3S/c1-4(7)3-6-10(8,9)5-2/h5-6H,3H2,1-2H3
InChIKeyWIIFVKNHYCEORL-UHFFFAOYSA-N
XLogP-1.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylsulfamoylamino)propan-2-one 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 1-(methylsulfamoylamino)propan-2-one?
The IUPAC name of 1-(methylsulfamoylamino)propan-2-one (CID 58997407) is 1-(methylsulfamoylamino)propan-2-one.
What is the SMILES notation for 1-(methylsulfamoylamino)propan-2-one?
The canonical SMILES for 1-(methylsulfamoylamino)propan-2-one is CNS(=O)(=O)NCC(C)=O.
What is the InChIKey of 1-(methylsulfamoylamino)propan-2-one?
The InChIKey is WIIFVKNHYCEORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S/c1-4(7)3-6-10(8,9)5-2/h5-6H,3H2,1-2H3.
What are the key properties of 1-(methylsulfamoylamino)propan-2-one?
1-(methylsulfamoylamino)propan-2-one has a molecular weight of 166.20 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)propan-2-one is sourced from PubChem (CID 58997407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).