3-ethenyl-1,2-thiazolidine 1,1-dioxide

C5H9NO2S — CID 11412458

IUPAC3-ethenyl-1,2-thiazolidine 1,1-dioxide
SMILESC=CC1CCS(=O)(=O)N1
InChIInChI=1S/C5H9NO2S/c1-2-5-3-4-9(7,8)6-5/h2,5-6H,1,3-4H2
InChIKeySYHAGYYLDUXXPA-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.14
Rot. Bonds1

About 3-ethenyl-1,2-thiazolidine 1,1-dioxide

3-ethenyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 11412458) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 3-ethenyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-ethenyl-1,2-thiazolidine 1,1-dioxide
PubChem CID11412458
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name3-ethenyl-1,2-thiazolidine 1,1-dioxide
SMILESC=CC1CCS(=O)(=O)N1
InChIInChI=1S/C5H9NO2S/c1-2-5-3-4-9(7,8)6-5/h2,5-6H,1,3-4H2
InChIKeySYHAGYYLDUXXPA-UHFFFAOYSA-N
XLogP-0.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-ethenyl-1,2-thiazolidine 1,1-dioxide (CID 11412458) is 3-ethenyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-ethenyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-ethenyl-1,2-thiazolidine 1,1-dioxide is C=CC1CCS(=O)(=O)N1.
What is the InChIKey of 3-ethenyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is SYHAGYYLDUXXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-2-5-3-4-9(7,8)6-5/h2,5-6H,1,3-4H2.
What are the key properties of 3-ethenyl-1,2-thiazolidine 1,1-dioxide?
3-ethenyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 147.20 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 11412458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).