3-(methylsulfamoylamino)propanimidamide

C4H12N4O2S — CID 114813208

IUPAC3-(methylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NC
InChIInChI=1S/C4H12N4O2S/c1-7-11(9,10)8-3-2-4(5)6/h7-8H,2-3H2,1H3,(H3,5,6)
InChIKeyFLGKRYBYMRHKDQ-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.63
Rot. Bonds5

About 3-(methylsulfamoylamino)propanimidamide

3-(methylsulfamoylamino)propanimidamide (PubChem CID 114813208) has the molecular formula C4H12N4O2S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(methylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name3-(methylsulfamoylamino)propanimidamide
PubChem CID114813208
Molecular FormulaC4H12N4O2S
Molecular Weight180.23 g/mol
Exact Mass180.07
IUPAC Name3-(methylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NC
InChIInChI=1S/C4H12N4O2S/c1-7-11(9,10)8-3-2-4(5)6/h7-8H,2-3H2,1H3,(H3,5,6)
InChIKeyFLGKRYBYMRHKDQ-UHFFFAOYSA-N
XLogP-1.63
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(methylsulfamoylamino)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813209
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813344
3-(Dimethylsulfamoylamino)-2-methylpropanimidamide
CID 64405507
3-(Dimethylsulfamoylamino)propanimidamide
CID 64405647
3-(Dimethylsulfamoylamino)butanimidamide
CID 64406030
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691
3-(Methanesulfonamido)propanimidamide
CID 64406904
3-[Dimethylsulfamoyl(ethyl)amino]propanimidamide
CID 64406915
3-(Diethylsulfamoylamino)propanimidamide
CID 64408154
4-(Dimethylsulfamoylamino)butanimidamide
CID 64408423
3-[Dimethylsulfamoyl(methyl)amino]propanimidamide
CID 64413535
2-(Dimethylsulfamoylamino)propanimidamide
CID 64414354

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoylamino)propanimidamide?
The IUPAC name of 3-(methylsulfamoylamino)propanimidamide (CID 114813208) is 3-(methylsulfamoylamino)propanimidamide.
What is the SMILES notation for 3-(methylsulfamoylamino)propanimidamide?
The canonical SMILES for 3-(methylsulfamoylamino)propanimidamide is [H]/N=C(\N)CCNS(=O)(=O)NC.
What is the InChIKey of 3-(methylsulfamoylamino)propanimidamide?
The InChIKey is FLGKRYBYMRHKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O2S/c1-7-11(9,10)8-3-2-4(5)6/h7-8H,2-3H2,1H3,(H3,5,6).
What are the key properties of 3-(methylsulfamoylamino)propanimidamide?
3-(methylsulfamoylamino)propanimidamide has a molecular weight of 180.23 g/mol, XLogP of -1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).