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'}

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Related Compounds

4-butyl-2-methyl-1,4-thiazinane 1-oxide
CID 130678514
ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate
CID 131155373
2-(2-methyl-1-oxo-1,4-thiazinan-4-yl)-2-oxoacetic acid
CID 131106295
3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol
CID 130666898
4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide
CID 130891121
2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide
CID 100645099
4-(azetidin-3-yl)-2-methyl-1,4-thiazinane 1-oxide
CID 130725335
(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
CID 104977151
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
1-(2-methylidenebutyl)piperidin-3-amine
CID 66047170
2-[(1-oxo-1,4-thiazepan-4-yl)methyl]prop-2-ene-1-thiol
CID 130679161
ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 142372781

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).