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

C8H18N4O3S — CID 76911666

IUPAC3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide
SMILESCN(C)S(=O)(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C8H18N4O3S/c1-11(2)16(14,15)12(7-3-4-7)6-5-8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyCLCWZISXXRLMDS-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.61
Rot. Bonds6

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

3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76911666) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide
PubChem CID76911666
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide
SMILESCN(C)S(=O)(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C8H18N4O3S/c1-11(2)16(14,15)12(7-3-4-7)6-5-8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyCLCWZISXXRLMDS-UHFFFAOYSA-N
XLogP-0.61
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
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(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide (CID 76911666) is 3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide is CN(C)S(=O)(=O)N(CCC(N)=NO)C1CC1.
What is the InChIKey of 3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is CLCWZISXXRLMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-11(2)16(14,15)12(7-3-4-7)6-5-8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(dimethylsulfamoyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).