2-ethyl-1,2,5-thiadiazolidine 1-oxide

C4H10N2OS — CID 89189912

IUPAC2-ethyl-1,2,5-thiadiazolidine 1-oxide
SMILESCCN1CCNS1=O
InChIInChI=1S/C4H10N2OS/c1-2-6-4-3-5-8(6)7/h5H,2-4H2,1H3
InChIKeyDCPYAHUMVZAOIO-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.51
Rot. Bonds1

About 2-ethyl-1,2,5-thiadiazolidine 1-oxide

2-ethyl-1,2,5-thiadiazolidine 1-oxide (PubChem CID 89189912) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-ethyl-1,2,5-thiadiazolidine 1-oxide.

Molecular Properties

Compound Name2-ethyl-1,2,5-thiadiazolidine 1-oxide
PubChem CID89189912
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name2-ethyl-1,2,5-thiadiazolidine 1-oxide
SMILESCCN1CCNS1=O
InChIInChI=1S/C4H10N2OS/c1-2-6-4-3-5-8(6)7/h5H,2-4H2,1H3
InChIKeyDCPYAHUMVZAOIO-UHFFFAOYSA-N
XLogP-0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
2-(2-Aminoethyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 68282469
2,5-Diethyl-1,2,5-thiadiazolidine 1-oxide
CID 13807924
2-Methyl-1,2,5-thiadiazolidine 1-oxide
CID 23516050
2-(2-Aminoethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57697904
2-Methyl-1,2,5-thiadiazolidine
CID 57798923
N-methyl-2-[5-[2-(methylamino)ethyl]-1-oxo-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 59779854
2-Ethyl-1,2,5-thiadiazolidine
CID 70101760
2-Propyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 70335313
N-(2-aminoethyl)-N-ethylthiohydroxylamine
CID 88508689
2-(1,2,5-Thiadiazolidin-2-yl)ethanamine
CID 123308254
2-Propan-2-yl-1,2,5-thiadiazolidine
CID 123695274

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2,5-thiadiazolidine 1-oxide?
The IUPAC name of 2-ethyl-1,2,5-thiadiazolidine 1-oxide (CID 89189912) is 2-ethyl-1,2,5-thiadiazolidine 1-oxide.
What is the SMILES notation for 2-ethyl-1,2,5-thiadiazolidine 1-oxide?
The canonical SMILES for 2-ethyl-1,2,5-thiadiazolidine 1-oxide is CCN1CCNS1=O.
What is the InChIKey of 2-ethyl-1,2,5-thiadiazolidine 1-oxide?
The InChIKey is DCPYAHUMVZAOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-2-6-4-3-5-8(6)7/h5H,2-4H2,1H3.
What are the key properties of 2-ethyl-1,2,5-thiadiazolidine 1-oxide?
2-ethyl-1,2,5-thiadiazolidine 1-oxide has a molecular weight of 134.20 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2,5-thiadiazolidine 1-oxide is sourced from PubChem (CID 89189912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).