N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide

C5H14N4O3S — CID 104978308

IUPACN'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
SMILESCCCNS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-2-3-7-13(11,12)8-4-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9)
InChIKeyFYFIRHWGSVEAGX-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.43
Rot. Bonds6

About N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide

N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide (PubChem CID 104978308) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
PubChem CID104978308
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC NameN'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
SMILESCCCNS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-2-3-7-13(11,12)8-4-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9)
InChIKeyFYFIRHWGSVEAGX-UHFFFAOYSA-N
XLogP-1.43
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
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-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978309
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718
2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxyethanimidamide
CID 76929417
3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953191
4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76953329
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide
CID 104978249
2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978262
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
N'-hydroxy-2-(propylsulfamoylamino)propanimidamide
CID 104978265
2-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978267

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide (CID 104978308) is N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide is CCCNS(=O)(=O)NCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide?
The InChIKey is FYFIRHWGSVEAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-2-3-7-13(11,12)8-4-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9).
What are the key properties of N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide?
N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide has a molecular weight of 210.26 g/mol, XLogP of -1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).