4-iodothiazinane 1,1-dioxide

C4H8INO2S — CID 155931220

IUPAC4-iodothiazinane 1,1-dioxide
SMILESO=S1(=O)CCC(I)CN1
InChIInChI=1S/C4H8INO2S/c5-4-1-2-9(7,8)6-3-4/h4,6H,1-3H2
InChIKeyHLATXSZLMWTXRD-UHFFFAOYSA-N
MW261.08 g/mol
LogP0.11
Rot. Bonds

About 4-iodothiazinane 1,1-dioxide

4-iodothiazinane 1,1-dioxide (PubChem CID 155931220) has the molecular formula C4H8INO2S and a molecular weight of 261.08 g/mol. Its IUPAC name is 4-iodothiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-iodothiazinane 1,1-dioxide
PubChem CID155931220
Molecular FormulaC4H8INO2S
Molecular Weight261.08 g/mol
Exact Mass260.93
IUPAC Name4-iodothiazinane 1,1-dioxide
SMILESO=S1(=O)CCC(I)CN1
InChIInChI=1S/C4H8INO2S/c5-4-1-2-9(7,8)6-3-4/h4,6H,1-3H2
InChIKeyHLATXSZLMWTXRD-UHFFFAOYSA-N
XLogP0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 50.11
H-Bond Donors ≤ 51
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 4-iodothiazinane 1,1-dioxide?
The IUPAC name of 4-iodothiazinane 1,1-dioxide (CID 155931220) is 4-iodothiazinane 1,1-dioxide.
What is the SMILES notation for 4-iodothiazinane 1,1-dioxide?
The canonical SMILES for 4-iodothiazinane 1,1-dioxide is O=S1(=O)CCC(I)CN1.
What is the InChIKey of 4-iodothiazinane 1,1-dioxide?
The InChIKey is HLATXSZLMWTXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO2S/c5-4-1-2-9(7,8)6-3-4/h4,6H,1-3H2.
What are the key properties of 4-iodothiazinane 1,1-dioxide?
4-iodothiazinane 1,1-dioxide has a molecular weight of 261.08 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodothiazinane 1,1-dioxide is sourced from PubChem (CID 155931220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).