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

C5H10INO2S — CID 155931363

IUPAC3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1C(CI)CCS1(=O)=O
InChIInChI=1S/C5H10INO2S/c1-7-5(4-6)2-3-10(7,8)9/h5H,2-4H2,1H3
InChIKeyXPJXGTKNBPLCOP-UHFFFAOYSA-N
MW275.11 g/mol
LogP0.46
Rot. Bonds1

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

3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 155931363) has the molecular formula C5H10INO2S and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID155931363
Molecular FormulaC5H10INO2S
Molecular Weight275.11 g/mol
Exact Mass274.95
IUPAC Name3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1C(CI)CCS1(=O)=O
InChIInChI=1S/C5H10INO2S/c1-7-5(4-6)2-3-10(7,8)9/h5H,2-4H2,1H3
InChIKeyXPJXGTKNBPLCOP-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 50.46
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 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide (CID 155931363) is 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide is CN1C(CI)CCS1(=O)=O.
What is the InChIKey of 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is XPJXGTKNBPLCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2S/c1-7-5(4-6)2-3-10(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide?
3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 275.11 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 155931363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).