N-(methylaminosulfamoyl)methanamine

C2H9N3O2S — CID 57302997

IUPACN-(methylaminosulfamoyl)methanamine
SMILESCNNS(=O)(=O)NC
InChIInChI=1S/C2H9N3O2S/c1-3-5-8(6,7)4-2/h3-5H,1-2H3
InChIKeyWVHVYTRIRWJMQI-UHFFFAOYSA-N
MW139.18 g/mol
LogP-1.83
Rot. Bonds3

About N-(methylaminosulfamoyl)methanamine

N-(methylaminosulfamoyl)methanamine (PubChem CID 57302997) has the molecular formula C2H9N3O2S and a molecular weight of 139.18 g/mol. Its IUPAC name is N-(methylaminosulfamoyl)methanamine.

Molecular Properties

Compound NameN-(methylaminosulfamoyl)methanamine
PubChem CID57302997
Molecular FormulaC2H9N3O2S
Molecular Weight139.18 g/mol
Exact Mass139.04
IUPAC NameN-(methylaminosulfamoyl)methanamine
SMILESCNNS(=O)(=O)NC
InChIInChI=1S/C2H9N3O2S/c1-3-5-8(6,7)4-2/h3-5H,1-2H3
InChIKeyWVHVYTRIRWJMQI-UHFFFAOYSA-N
XLogP-1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methylaminosulfamoyl)methanamine?
The IUPAC name of N-(methylaminosulfamoyl)methanamine (CID 57302997) is N-(methylaminosulfamoyl)methanamine.
What is the SMILES notation for N-(methylaminosulfamoyl)methanamine?
The canonical SMILES for N-(methylaminosulfamoyl)methanamine is CNNS(=O)(=O)NC.
What is the InChIKey of N-(methylaminosulfamoyl)methanamine?
The InChIKey is WVHVYTRIRWJMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N3O2S/c1-3-5-8(6,7)4-2/h3-5H,1-2H3.
What are the key properties of N-(methylaminosulfamoyl)methanamine?
N-(methylaminosulfamoyl)methanamine has a molecular weight of 139.18 g/mol, XLogP of -1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminosulfamoyl)methanamine is sourced from PubChem (CID 57302997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).