N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide

C9H22N4O3S — CID 104978790

IUPACN'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)NCC(C)C
InChIInChI=1S/C9H22N4O3S/c1-4-5-13(7-9(10)12-14)17(15,16)11-6-8(2)3/h8,11,14H,4-7H2,1-3H3,(H2,10,12)
InChIKeyDYHLXHVLJBVVCM-UHFFFAOYSA-N
MW266.37 g/mol
LogP-0.06
Rot. Bonds8

About N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide

N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide (PubChem CID 104978790) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
PubChem CID104978790
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC NameN'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)NCC(C)C
InChIInChI=1S/C9H22N4O3S/c1-4-5-13(7-9(10)12-14)17(15,16)11-6-8(2)3/h8,11,14H,4-7H2,1-3H3,(H2,10,12)
InChIKeyDYHLXHVLJBVVCM-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

3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978391
2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77052461
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978377
2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76988819
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
CID 76917335
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide (CID 104978790) is N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)NCC(C)C.
What is the InChIKey of N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide?
The InChIKey is DYHLXHVLJBVVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-4-5-13(7-9(10)12-14)17(15,16)11-6-8(2)3/h8,11,14H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide?
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide 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 N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide is sourced from PubChem (CID 104978790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).