3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide

C9H20N4O3S — CID 104978374

IUPAC3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide
SMILESCCCNS(=O)(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C9H20N4O3S/c1-2-6-11-17(15,16)13(8-3-4-8)7-5-9(10)12-14/h8,11,14H,2-7H2,1H3,(H2,10,12)
InChIKeyYQHGLNLVESZFPP-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.17
Rot. Bonds8

About 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104978374) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide
PubChem CID104978374
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide
SMILESCCCNS(=O)(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C9H20N4O3S/c1-2-6-11-17(15,16)13(8-3-4-8)7-5-9(10)12-14/h8,11,14H,2-7H2,1H3,(H2,10,12)
InChIKeyYQHGLNLVESZFPP-UHFFFAOYSA-N
XLogP-0.17
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide (CID 104978374) is 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide is CCCNS(=O)(=O)N(CCC(N)=NO)C1CC1.
What is the InChIKey of 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is YQHGLNLVESZFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-2-6-11-17(15,16)13(8-3-4-8)7-5-9(10)12-14/h8,11,14H,2-7H2,1H3,(H2,10,12).
What are the key properties of 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propylsulfamoyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).