3-(methylsulfamoylamino)butanimidamide

C5H14N4O2S — CID 114813150

IUPAC3-(methylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NC
InChIInChI=1S/C5H14N4O2S/c1-4(3-5(6)7)9-12(10,11)8-2/h4,8-9H,3H2,1-2H3,(H3,6,7)
InChIKeyHSYGURUPDYLNMS-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.25
Rot. Bonds5

About 3-(methylsulfamoylamino)butanimidamide

3-(methylsulfamoylamino)butanimidamide (PubChem CID 114813150) has the molecular formula C5H14N4O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(methylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name3-(methylsulfamoylamino)butanimidamide
PubChem CID114813150
Molecular FormulaC5H14N4O2S
Molecular Weight194.26 g/mol
Exact Mass194.08
IUPAC Name3-(methylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NC
InChIInChI=1S/C5H14N4O2S/c1-4(3-5(6)7)9-12(10,11)8-2/h4,8-9H,3H2,1-2H3,(H3,6,7)
InChIKeyHSYGURUPDYLNMS-UHFFFAOYSA-N
XLogP-1.25
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.25
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'}

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Related Compounds

3-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
2-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813351
3-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 114813431
3-Ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 23564162
3-(Dimethylsulfamoylamino)propanimidamide
CID 64405647
3-(Dimethylsulfamoylamino)butanimidamide
CID 64406030
4-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406131
2-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406146
2-(Dimethylsulfamoylamino)butanimidamide
CID 64406348
3-[Methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406653
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691
3-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64407081

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoylamino)butanimidamide?
The IUPAC name of 3-(methylsulfamoylamino)butanimidamide (CID 114813150) is 3-(methylsulfamoylamino)butanimidamide.
What is the SMILES notation for 3-(methylsulfamoylamino)butanimidamide?
The canonical SMILES for 3-(methylsulfamoylamino)butanimidamide is [H]/N=C(\N)CC(C)NS(=O)(=O)NC.
What is the InChIKey of 3-(methylsulfamoylamino)butanimidamide?
The InChIKey is HSYGURUPDYLNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O2S/c1-4(3-5(6)7)9-12(10,11)8-2/h4,8-9H,3H2,1-2H3,(H3,6,7).
What are the key properties of 3-(methylsulfamoylamino)butanimidamide?
3-(methylsulfamoylamino)butanimidamide has a molecular weight of 194.26 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).