3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C10H22N4O3S — CID 104978377

IUPAC3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)7-14(6-5-10(11)12-15)18(16,17)13-9-3-4-9/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyIKZRUSJVCPGPAR-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.08
Rot. Bonds8

About 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104978377) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID104978377
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)7-14(6-5-10(11)12-15)18(16,17)13-9-3-4-9/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyIKZRUSJVCPGPAR-UHFFFAOYSA-N
XLogP0.08
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.08
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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Related Compounds

3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
CID 76917335
1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride
CID 119970554
3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
CID 114808211
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
N'-hydroxy-3-[2-methylpropyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanimidamide
CID 103415668
3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 103100639
3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide
CID 114808224
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 106468313
3-[(3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917370

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 104978377) is 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CCC(N)=NO)S(=O)(=O)NC1CC1.
What is the InChIKey of 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is IKZRUSJVCPGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8(2)7-14(6-5-10(11)12-15)18(16,17)13-9-3-4-9/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 278.38 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).