4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide

C9H16BrNOS — CID 130627712

IUPAC4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide
SMILESC=C(CBr)CN1CCS(=O)C(C)C1
InChIInChI=1S/C9H16BrNOS/c1-8(5-10)6-11-3-4-13(12)9(2)7-11/h9H,1,3-7H2,2H3
InChIKeyGKUUPOUCXUBLKK-UHFFFAOYSA-N
MW266.20 g/mol
LogP1.39
Rot. Bonds3

About 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide

4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide (PubChem CID 130627712) has the molecular formula C9H16BrNOS and a molecular weight of 266.20 g/mol. Its IUPAC name is 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide
PubChem CID130627712
Molecular FormulaC9H16BrNOS
Molecular Weight266.20 g/mol
Exact Mass265.01
IUPAC Name4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide
SMILESC=C(CBr)CN1CCS(=O)C(C)C1
InChIInChI=1S/C9H16BrNOS/c1-8(5-10)6-11-3-4-13(12)9(2)7-11/h9H,1,3-7H2,2H3
InChIKeyGKUUPOUCXUBLKK-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide (CID 130627712) is 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide is C=C(CBr)CN1CCS(=O)C(C)C1.
What is the InChIKey of 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide?
The InChIKey is GKUUPOUCXUBLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNOS/c1-8(5-10)6-11-3-4-13(12)9(2)7-11/h9H,1,3-7H2,2H3.
What are the key properties of 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide?
4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide has a molecular weight of 266.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130627712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).