2-ethyl-1,2,5-thiadiazolidine

C4H10N2S — CID 70101760

IUPAC2-ethyl-1,2,5-thiadiazolidine
SMILESCCN1CCNS1
InChIInChI=1S/C4H10N2S/c1-2-6-4-3-5-7-6/h5H,2-4H2,1H3
InChIKeyCYRGOKNQFFNJSD-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.47
Rot. Bonds1

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

2-ethyl-1,2,5-thiadiazolidine (PubChem CID 70101760) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-ethyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name2-ethyl-1,2,5-thiadiazolidine
PubChem CID70101760
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name2-ethyl-1,2,5-thiadiazolidine
SMILESCCN1CCNS1
InChIInChI=1S/C4H10N2S/c1-2-6-4-3-5-7-6/h5H,2-4H2,1H3
InChIKeyCYRGOKNQFFNJSD-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
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
2,3-Dimethyl-1,2,5-thiadiazolidine
CID 70086730
N-(2-aminoethyl)-N-ethylthiohydroxylamine
CID 88508689
2-Ethyl-1,2,5-thiadiazolidine 1-oxide
CID 89189912
2-Tert-butyl-1,2,5-thiadiazolidine
CID 118697787
2-(1,2,5-Thiadiazolidin-2-yl)ethanamine
CID 123308254
2-Propan-2-yl-1,2,5-thiadiazolidine
CID 123695274
N-[2-(ethylamino)ethyl]thiohydroxylamine
CID 142567023
2-(5-Methyl-1,2,5-thiadiazolidin-2-yl)ethanamine
CID 142741769

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2,5-thiadiazolidine?
The IUPAC name of 2-ethyl-1,2,5-thiadiazolidine (CID 70101760) is 2-ethyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 2-ethyl-1,2,5-thiadiazolidine?
The canonical SMILES for 2-ethyl-1,2,5-thiadiazolidine is CCN1CCNS1.
What is the InChIKey of 2-ethyl-1,2,5-thiadiazolidine?
The InChIKey is CYRGOKNQFFNJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-2-6-4-3-5-7-6/h5H,2-4H2,1H3.
What are the key properties of 2-ethyl-1,2,5-thiadiazolidine?
2-ethyl-1,2,5-thiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 70101760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).