3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide

C5H14N4O3S — CID 104978426

IUPAC3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
SMILESCCNS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-2-7-13(11,12)8-4-3-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9)
InChIKeyLHPKQLVLKGFENT-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.43
Rot. Bonds6

About 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide

3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide (PubChem CID 104978426) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
PubChem CID104978426
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC Name3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
SMILESCCNS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-2-7-13(11,12)8-4-3-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9)
InChIKeyLHPKQLVLKGFENT-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-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978425
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978432
N'-hydroxy-3-(methanesulfonamido)propanimidamide
CID 22733172
N'-hydroxy-3-(methanesulfonamido)propanimidamide
CID 73994016
(1Z)-N'-hydroxy-3-[(methylsulfonyl)amino]propanimidamide
CID 86586149
3-(Dimethylsulfamoylamino)propanimidamide
CID 64405647
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934632
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76953187
3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953191
3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76953214
3-(diethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953247

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide (CID 104978426) is 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide is CCNS(=O)(=O)NCCC(N)=NO.
What is the InChIKey of 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide?
The InChIKey is LHPKQLVLKGFENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-2-7-13(11,12)8-4-3-5(6)9-10/h7-8,10H,2-4H2,1H3,(H2,6,9).
What are the key properties of 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide?
3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide 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 3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 104978426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).