3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide

C8H18N4O2S — CID 114813143

IUPAC3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H18N4O2S/c1-6(5-8(9)10)12(2)15(13,14)11-7-3-4-7/h6-7,11H,3-5H2,1-2H3,(H3,9,10)
InChIKeyDWENOTCYYFWDLJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.37
Rot. Bonds6

About 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide

3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide (PubChem CID 114813143) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide
PubChem CID114813143
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H18N4O2S/c1-6(5-8(9)10)12(2)15(13,14)11-7-3-4-7/h6-7,11H,3-5H2,1-2H3,(H3,9,10)
InChIKeyDWENOTCYYFWDLJ-UHFFFAOYSA-N
XLogP-0.37
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide?
The IUPAC name of 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide (CID 114813143) is 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide.
What is the SMILES notation for 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide?
The canonical SMILES for 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)S(=O)(=O)NC1CC1.
What is the InChIKey of 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide?
The InChIKey is DWENOTCYYFWDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-6(5-8(9)10)12(2)15(13,14)11-7-3-4-7/h6-7,11H,3-5H2,1-2H3,(H3,9,10).
What are the key properties of 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide?
3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide has a molecular weight of 234.32 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylsulfamoyl(methyl)amino]butanimidamide is sourced from PubChem (CID 114813143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).