1-(dimethylsulfamoylamino)-2-oxoethane

C4H10N2O3S — CID 21087159

IUPAC1-(dimethylsulfamoylamino)-2-oxoethane
SMILESCN(C)S(=O)(=O)NCC=O
InChIInChI=1S/C4H10N2O3S/c1-6(2)10(8,9)5-3-4-7/h4-5H,3H2,1-2H3
InChIKeyAUAHCBMHIKRSSN-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.42
Rot. Bonds4

About 1-(dimethylsulfamoylamino)-2-oxoethane

1-(dimethylsulfamoylamino)-2-oxoethane (PubChem CID 21087159) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-oxoethane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-oxoethane
PubChem CID21087159
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name1-(dimethylsulfamoylamino)-2-oxoethane
SMILESCN(C)S(=O)(=O)NCC=O
InChIInChI=1S/C4H10N2O3S/c1-6(2)10(8,9)5-3-4-7/h4-5H,3H2,1-2H3
InChIKeyAUAHCBMHIKRSSN-UHFFFAOYSA-N
XLogP-1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(dimethylsulfamoylamino)-2-oxoethane 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-(dimethylsulfamoylamino)-2-oxoethane?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-oxoethane (CID 21087159) is 1-(dimethylsulfamoylamino)-2-oxoethane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-oxoethane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-oxoethane is CN(C)S(=O)(=O)NCC=O.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-oxoethane?
The InChIKey is AUAHCBMHIKRSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S/c1-6(2)10(8,9)5-3-4-7/h4-5H,3H2,1-2H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-oxoethane?
1-(dimethylsulfamoylamino)-2-oxoethane has a molecular weight of 166.20 g/mol, XLogP of -1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-oxoethane is sourced from PubChem (CID 21087159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).