2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide

C4H12N4O3S — CID 104978310

IUPAC2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
SMILESCCNS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C4H12N4O3S/c1-2-6-12(10,11)7-3-4(5)8-9/h6-7,9H,2-3H2,1H3,(H2,5,8)
InChIKeyXJBMSUAUZWOGLW-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.82
Rot. Bonds5

About 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide

2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide (PubChem CID 104978310) has the molecular formula C4H12N4O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
PubChem CID104978310
Molecular FormulaC4H12N4O3S
Molecular Weight196.23 g/mol
Exact Mass196.06
IUPAC Name2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
SMILESCCNS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C4H12N4O3S/c1-2-6-12(10,11)7-3-4(5)8-9/h6-7,9H,2-3H2,1H3,(H2,5,8)
InChIKeyXJBMSUAUZWOGLW-UHFFFAOYSA-N
XLogP-1.82
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.82
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-methoxyethylsulfamoylamino)ethanimidamide
CID 104978766
(ethylsulfamoylamino)methanol
CID 117126069
2-[4-(ethylsulfamoylamino)phenoxy]-N'-hydroxyethanimidamide
CID 114812273
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995
N'-hydroxy-3-(propylsulfamoylamino)butanimidamide
CID 104978411
3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
2-(ethylsulfamoylamino)propanethioamide
CID 114808115
1-(ethylsulfamoylamino)-2-methylpropan-2-ol
CID 110626852
3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide
CID 114813617

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide (CID 104978310) is 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide is CCNS(=O)(=O)NCC(N)=NO.
What is the InChIKey of 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide?
The InChIKey is XJBMSUAUZWOGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O3S/c1-2-6-12(10,11)7-3-4(5)8-9/h6-7,9H,2-3H2,1H3,(H2,5,8).
What are the key properties of 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide?
2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide has a molecular weight of 196.23 g/mol, XLogP of -1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 104978310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).