1-(methylsulfamoyl)aziridine-2-carboxamide

C4H9N3O3S — CID 59999333

IUPAC1-(methylsulfamoyl)aziridine-2-carboxamide
SMILESCNS(=O)(=O)N1CC1C(N)=O
InChIInChI=1S/C4H9N3O3S/c1-6-11(9,10)7-2-3(7)4(5)8/h3,6H,2H2,1H3,(H2,5,8)
InChIKeyIIOJEBSFFOUDOM-UHFFFAOYSA-N
MW179.20 g/mol
LogP-2.38
Rot. Bonds3

About 1-(methylsulfamoyl)aziridine-2-carboxamide

1-(methylsulfamoyl)aziridine-2-carboxamide (PubChem CID 59999333) has the molecular formula C4H9N3O3S and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-(methylsulfamoyl)aziridine-2-carboxamide.

Molecular Properties

Compound Name1-(methylsulfamoyl)aziridine-2-carboxamide
PubChem CID59999333
Molecular FormulaC4H9N3O3S
Molecular Weight179.20 g/mol
Exact Mass179.04
IUPAC Name1-(methylsulfamoyl)aziridine-2-carboxamide
SMILESCNS(=O)(=O)N1CC1C(N)=O
InChIInChI=1S/C4H9N3O3S/c1-6-11(9,10)7-2-3(7)4(5)8/h3,6H,2H2,1H3,(H2,5,8)
InChIKeyIIOJEBSFFOUDOM-UHFFFAOYSA-N
XLogP-2.38
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoyl)aziridine-2-carboxamide?
The IUPAC name of 1-(methylsulfamoyl)aziridine-2-carboxamide (CID 59999333) is 1-(methylsulfamoyl)aziridine-2-carboxamide.
What is the SMILES notation for 1-(methylsulfamoyl)aziridine-2-carboxamide?
The canonical SMILES for 1-(methylsulfamoyl)aziridine-2-carboxamide is CNS(=O)(=O)N1CC1C(N)=O.
What is the InChIKey of 1-(methylsulfamoyl)aziridine-2-carboxamide?
The InChIKey is IIOJEBSFFOUDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3S/c1-6-11(9,10)7-2-3(7)4(5)8/h3,6H,2H2,1H3,(H2,5,8).
What are the key properties of 1-(methylsulfamoyl)aziridine-2-carboxamide?
1-(methylsulfamoyl)aziridine-2-carboxamide has a molecular weight of 179.20 g/mol, XLogP of -2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoyl)aziridine-2-carboxamide is sourced from PubChem (CID 59999333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).