2-methyl-3-(methylsulfamoylamino)propanimidamide

C5H14N4O2S — CID 114813343

IUPAC2-methyl-3-(methylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)CNS(=O)(=O)NC
InChIInChI=1S/C5H14N4O2S/c1-4(5(6)7)3-9-12(10,11)8-2/h4,8-9H,3H2,1-2H3,(H3,6,7)
InChIKeyGRQHTRFVYZYKMC-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.39
Rot. Bonds5

About 2-methyl-3-(methylsulfamoylamino)propanimidamide

2-methyl-3-(methylsulfamoylamino)propanimidamide (PubChem CID 114813343) has the molecular formula C5H14N4O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-methyl-3-(methylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(methylsulfamoylamino)propanimidamide
PubChem CID114813343
Molecular FormulaC5H14N4O2S
Molecular Weight194.26 g/mol
Exact Mass194.08
IUPAC Name2-methyl-3-(methylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)CNS(=O)(=O)NC
InChIInChI=1S/C5H14N4O2S/c1-4(5(6)7)3-9-12(10,11)8-2/h4,8-9H,3H2,1-2H3,(H3,6,7)
InChIKeyGRQHTRFVYZYKMC-UHFFFAOYSA-N
XLogP-1.39
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 ≤ 5-1.39
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

2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813344
N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide
CID 59047923
3-(Dimethylsulfamoylamino)-2-methylpropanimidamide
CID 64405507
2-Methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64405515
3-(Dimethylsulfamoylamino)propanimidamide
CID 64405647
3-(Methanesulfonamido)-2-methylpropanimidamide
CID 64405723
3-[Dimethylsulfamoyl(methyl)amino]-2-methylpropanimidamide
CID 64406089
3-(Diethylsulfamoylamino)propanimidamide
CID 64408154
3-(Diethylsulfamoylamino)-2-methylpropanimidamide
CID 64408219
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422
3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978426
N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide
CID 104978429

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylsulfamoylamino)propanimidamide?
The IUPAC name of 2-methyl-3-(methylsulfamoylamino)propanimidamide (CID 114813343) is 2-methyl-3-(methylsulfamoylamino)propanimidamide.
What is the SMILES notation for 2-methyl-3-(methylsulfamoylamino)propanimidamide?
The canonical SMILES for 2-methyl-3-(methylsulfamoylamino)propanimidamide is [H]/N=C(\N)C(C)CNS(=O)(=O)NC.
What is the InChIKey of 2-methyl-3-(methylsulfamoylamino)propanimidamide?
The InChIKey is GRQHTRFVYZYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O2S/c1-4(5(6)7)3-9-12(10,11)8-2/h4,8-9H,3H2,1-2H3,(H3,6,7).
What are the key properties of 2-methyl-3-(methylsulfamoylamino)propanimidamide?
2-methyl-3-(methylsulfamoylamino)propanimidamide has a molecular weight of 194.26 g/mol, XLogP of -1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).