4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide

C8H16BrNOS — CID 64996346

IUPAC4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide
SMILESCC(CBr)CN1CCS(=O)CC1
InChIInChI=1S/C8H16BrNOS/c1-8(6-9)7-10-2-4-12(11)5-3-10/h8H,2-7H2,1H3
InChIKeyCWXICBRBVXYSDO-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.08
Rot. Bonds3

About 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide

4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide (PubChem CID 64996346) has the molecular formula C8H16BrNOS and a molecular weight of 254.19 g/mol. Its IUPAC name is 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide
PubChem CID64996346
Molecular FormulaC8H16BrNOS
Molecular Weight254.19 g/mol
Exact Mass253.01
IUPAC Name4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide
SMILESCC(CBr)CN1CCS(=O)CC1
InChIInChI=1S/C8H16BrNOS/c1-8(6-9)7-10-2-4-12(11)5-3-10/h8H,2-7H2,1H3
InChIKeyCWXICBRBVXYSDO-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(bromomethyl)butyl]-1,4-thiazinane 1-oxide
CID 65000575
1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
1-[4-(3-bromo-2-methylpropyl)piperazin-1-yl]ethanone
CID 64996028
3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 65233064
4-(2-bromo-3,3,3-trifluoropropyl)-1,4-thiazinane 1-oxide
CID 64758744
3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
CID 64994761
3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-2-one
CID 79395365
1-[(2R)-3-iodo-2-methylpropyl]aziridine
CID 163538193
1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
CID 80674253
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol
CID 62625148
N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
CID 62617575

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide (CID 64996346) is 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide is CC(CBr)CN1CCS(=O)CC1.
What is the InChIKey of 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide?
The InChIKey is CWXICBRBVXYSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNOS/c1-8(6-9)7-10-2-4-12(11)5-3-10/h8H,2-7H2,1H3.
What are the key properties of 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide?
4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide has a molecular weight of 254.19 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 64996346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).