3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide

C9H20N4O2S — CID 114813471

IUPAC3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NC(C)C
InChIInChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13(8-3-4-8)6-5-9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11)
InChIKeyYTIVRPHFHGQAKE-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.02
Rot. Bonds7

About 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide

3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide (PubChem CID 114813471) has the molecular formula C9H20N4O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide
PubChem CID114813471
Molecular FormulaC9H20N4O2S
Molecular Weight248.35 g/mol
Exact Mass248.13
IUPAC Name3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NC(C)C
InChIInChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13(8-3-4-8)6-5-9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11)
InChIKeyYTIVRPHFHGQAKE-UHFFFAOYSA-N
XLogP0.02
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.02
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-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide (CID 114813471) is 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide is [H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NC(C)C.
What is the InChIKey of 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide?
The InChIKey is YTIVRPHFHGQAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13(8-3-4-8)6-5-9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide?
3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide has a molecular weight of 248.35 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propan-2-ylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 114813471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).