N-methyl-N-sulfamoylformamide

C2H6N2O3S — CID 123819822

IUPACN-methyl-N-sulfamoylformamide
SMILESCN(C=O)S(N)(=O)=O
InChIInChI=1S/C2H6N2O3S/c1-4(2-5)8(3,6)7/h2H,1H3,(H2,3,6,7)
InChIKeyAVUFSPRVRBRBMI-UHFFFAOYSA-N
MW138.15 g/mol
LogP-1.72
Rot. Bonds2

About N-methyl-N-sulfamoylformamide

N-methyl-N-sulfamoylformamide (PubChem CID 123819822) has the molecular formula C2H6N2O3S and a molecular weight of 138.15 g/mol. Its IUPAC name is N-methyl-N-sulfamoylformamide.

Molecular Properties

Compound NameN-methyl-N-sulfamoylformamide
PubChem CID123819822
Molecular FormulaC2H6N2O3S
Molecular Weight138.15 g/mol
Exact Mass138.01
IUPAC NameN-methyl-N-sulfamoylformamide
SMILESCN(C=O)S(N)(=O)=O
InChIInChI=1S/C2H6N2O3S/c1-4(2-5)8(3,6)7/h2H,1H3,(H2,3,6,7)
InChIKeyAVUFSPRVRBRBMI-UHFFFAOYSA-N
XLogP-1.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-sulfamoylformamide?
The IUPAC name of N-methyl-N-sulfamoylformamide (CID 123819822) is N-methyl-N-sulfamoylformamide.
What is the SMILES notation for N-methyl-N-sulfamoylformamide?
The canonical SMILES for N-methyl-N-sulfamoylformamide is CN(C=O)S(N)(=O)=O.
What is the InChIKey of N-methyl-N-sulfamoylformamide?
The InChIKey is AVUFSPRVRBRBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3S/c1-4(2-5)8(3,6)7/h2H,1H3,(H2,3,6,7).
What are the key properties of N-methyl-N-sulfamoylformamide?
N-methyl-N-sulfamoylformamide has a molecular weight of 138.15 g/mol, XLogP of -1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-sulfamoylformamide is sourced from PubChem (CID 123819822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).