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

C9H22N4O3S — CID 104978381

IUPAC3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCNS(=O)(=O)N(CCC(N)=NO)CC(C)C
InChIInChI=1S/C9H22N4O3S/c1-4-11-17(15,16)13(7-8(2)3)6-5-9(10)12-14/h8,11,14H,4-7H2,1-3H3,(H2,10,12)
InChIKeyGPXBHFTWTAJTRL-UHFFFAOYSA-N
MW266.37 g/mol
LogP-0.06
Rot. Bonds8

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

3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104978381) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID104978381
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCNS(=O)(=O)N(CCC(N)=NO)CC(C)C
InChIInChI=1S/C9H22N4O3S/c1-4-11-17(15,16)13(7-8(2)3)6-5-9(10)12-14/h8,11,14H,4-7H2,1-3H3,(H2,10,12)
InChIKeyGPXBHFTWTAJTRL-UHFFFAOYSA-N
XLogP-0.06
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-0.06
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

N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
CID 76917335
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978377
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide
CID 104978456
3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 106468313
N'-hydroxy-3-[2-methylpropyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanimidamide
CID 103415668
3-[(3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917370
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
CID 77008670
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328

Frequently Asked Questions

What is the IUPAC name of 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 104978381) is 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CCNS(=O)(=O)N(CCC(N)=NO)CC(C)C.
What is the InChIKey of 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is GPXBHFTWTAJTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-4-11-17(15,16)13(7-8(2)3)6-5-9(10)12-14/h8,11,14H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 266.37 g/mol, XLogP of -0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).