2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide

C6H12INO2S — CID 155931512

IUPAC2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide
SMILESCCN1C(CI)CCS1(=O)=O
InChIInChI=1S/C6H12INO2S/c1-2-8-6(5-7)3-4-11(8,9)10/h6H,2-5H2,1H3
InChIKeyHXAZGETUQOZFOV-UHFFFAOYSA-N
MW289.14 g/mol
LogP0.85
Rot. Bonds2

About 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide

2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 155931512) has the molecular formula C6H12INO2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID155931512
Molecular FormulaC6H12INO2S
Molecular Weight289.14 g/mol
Exact Mass288.96
IUPAC Name2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide
SMILESCCN1C(CI)CCS1(=O)=O
InChIInChI=1S/C6H12INO2S/c1-2-8-6(5-7)3-4-11(8,9)10/h6H,2-5H2,1H3
InChIKeyHXAZGETUQOZFOV-UHFFFAOYSA-N
XLogP0.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide (CID 155931512) is 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide is CCN1C(CI)CCS1(=O)=O.
What is the InChIKey of 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is HXAZGETUQOZFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO2S/c1-2-8-6(5-7)3-4-11(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide?
2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 289.14 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 155931512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).