2-methyl-3-(propylsulfamoylamino)propanimidamide

C7H18N4O2S — CID 114813347

IUPAC2-methyl-3-(propylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)CNS(=O)(=O)NCCC
InChIInChI=1S/C7H18N4O2S/c1-3-4-10-14(12,13)11-5-6(2)7(8)9/h6,10-11H,3-5H2,1-2H3,(H3,8,9)
InChIKeyYVZDQUWVDJQGFX-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.61
Rot. Bonds7

About 2-methyl-3-(propylsulfamoylamino)propanimidamide

2-methyl-3-(propylsulfamoylamino)propanimidamide (PubChem CID 114813347) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-methyl-3-(propylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(propylsulfamoylamino)propanimidamide
PubChem CID114813347
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC Name2-methyl-3-(propylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)CNS(=O)(=O)NCCC
InChIInChI=1S/C7H18N4O2S/c1-3-4-10-14(12,13)11-5-6(2)7(8)9/h6,10-11H,3-5H2,1-2H3,(H3,8,9)
InChIKeyYVZDQUWVDJQGFX-UHFFFAOYSA-N
XLogP-0.61
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.61
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
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-[Diethylsulfamoyl(ethyl)amino]-2-methylpropanimidamide
CID 64406513
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691
3-[Dimethylsulfamoyl(ethyl)amino]-2-methylpropanimidamide
CID 64407561
3-(Diethylsulfamoylamino)propanimidamide
CID 64408154
3-(Diethylsulfamoylamino)-2-methylpropanimidamide
CID 64408219
4-(Dimethylsulfamoylamino)butanimidamide
CID 64408423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(propylsulfamoylamino)propanimidamide?
The IUPAC name of 2-methyl-3-(propylsulfamoylamino)propanimidamide (CID 114813347) is 2-methyl-3-(propylsulfamoylamino)propanimidamide.
What is the SMILES notation for 2-methyl-3-(propylsulfamoylamino)propanimidamide?
The canonical SMILES for 2-methyl-3-(propylsulfamoylamino)propanimidamide is [H]/N=C(\N)C(C)CNS(=O)(=O)NCCC.
What is the InChIKey of 2-methyl-3-(propylsulfamoylamino)propanimidamide?
The InChIKey is YVZDQUWVDJQGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-3-4-10-14(12,13)11-5-6(2)7(8)9/h6,10-11H,3-5H2,1-2H3,(H3,8,9).
What are the key properties of 2-methyl-3-(propylsulfamoylamino)propanimidamide?
2-methyl-3-(propylsulfamoylamino)propanimidamide has a molecular weight of 222.31 g/mol, XLogP of -0.61, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(propylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).