3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine

C4H9N3O2S — CID 23564162

IUPAC3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
SMILESCCC1NS(=O)(=O)N=C1N
InChIInChI=1S/C4H9N3O2S/c1-2-3-4(5)7-10(8,9)6-3/h3,6H,2H2,1H3,(H2,5,7)
InChIKeyLFBRXCIJWOEANQ-UHFFFAOYSA-N
MW163.20 g/mol
LogP-1.03
Rot. Bonds1

About 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine

3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine (PubChem CID 23564162) has the molecular formula C4H9N3O2S and a molecular weight of 163.20 g/mol. Its IUPAC name is 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
PubChem CID23564162
Molecular FormulaC4H9N3O2S
Molecular Weight163.20 g/mol
Exact Mass163.04
IUPAC Name3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
SMILESCCC1NS(=O)(=O)N=C1N
InChIInChI=1S/C4H9N3O2S/c1-2-3-4(5)7-10(8,9)6-3/h3,6H,2H2,1H3,(H2,5,7)
InChIKeyLFBRXCIJWOEANQ-UHFFFAOYSA-N
XLogP-1.03
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64406348
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CID 64414354
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263
2-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978267
N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978270
N'-hydroxy-2-(propylsulfamoylamino)butanimidamide
CID 104978272
2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978273
N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978274
N'-hydroxy-2-(sulfamoylamino)butanimidamide
CID 104985750
3-(Propan-2-ylsulfamoylamino)butanimidamide
CID 114813148
3-(Methylsulfamoylamino)butanimidamide
CID 114813150

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine?
The IUPAC name of 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine (CID 23564162) is 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine.
What is the SMILES notation for 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine?
The canonical SMILES for 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine is CCC1NS(=O)(=O)N=C1N.
What is the InChIKey of 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine?
The InChIKey is LFBRXCIJWOEANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2S/c1-2-3-4(5)7-10(8,9)6-3/h3,6H,2H2,1H3,(H2,5,7).
What are the key properties of 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine?
3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine has a molecular weight of 163.20 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine is sourced from PubChem (CID 23564162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).