2-(4-bromophenyl)-6-methyl-1,3-thiazinane

C11H14BrNS — CID 66224229

IUPAC2-(4-bromophenyl)-6-methyl-1,3-thiazinane
SMILESCC1CCNC(c2ccc(Br)cc2)S1
InChIInChI=1S/C11H14BrNS/c1-8-6-7-13-11(14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyHFRDLWCZERMDSK-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.56
Rot. Bonds1

About 2-(4-bromophenyl)-6-methyl-1,3-thiazinane

2-(4-bromophenyl)-6-methyl-1,3-thiazinane (PubChem CID 66224229) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methyl-1,3-thiazinane
PubChem CID66224229
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name2-(4-bromophenyl)-6-methyl-1,3-thiazinane
SMILESCC1CCNC(c2ccc(Br)cc2)S1
InChIInChI=1S/C11H14BrNS/c1-8-6-7-13-11(14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyHFRDLWCZERMDSK-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-2,7-dimethyl-1,4-thiazepane
CID 66226053
6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane
CID 66224206
2-(5-bromo-2-fluorophenyl)-6-methyl-1,3-thiazinane
CID 66225572
2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol
CID 66224901
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane
CID 66224677
4-(5-methyl-1,3-thiazolidin-2-yl)phenol
CID 56624787
2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane
CID 112618396
3-(4-bromophenyl)-2-propan-2-ylpyrrolidine
CID 82379536
(2S,4R)-2-(4-bromophenyl)-4-chloropiperidine
CID 139094640
(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
CID 95365874
3-(4-bromophenyl)-2,7-dimethyl-1,4-thiazepane 1-oxide
CID 66225366

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methyl-1,3-thiazinane?
The IUPAC name of 2-(4-bromophenyl)-6-methyl-1,3-thiazinane (CID 66224229) is 2-(4-bromophenyl)-6-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(4-bromophenyl)-6-methyl-1,3-thiazinane?
The canonical SMILES for 2-(4-bromophenyl)-6-methyl-1,3-thiazinane is CC1CCNC(c2ccc(Br)cc2)S1.
What is the InChIKey of 2-(4-bromophenyl)-6-methyl-1,3-thiazinane?
The InChIKey is HFRDLWCZERMDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c1-8-6-7-13-11(14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3.
What are the key properties of 2-(4-bromophenyl)-6-methyl-1,3-thiazinane?
2-(4-bromophenyl)-6-methyl-1,3-thiazinane has a molecular weight of 272.21 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methyl-1,3-thiazinane is sourced from PubChem (CID 66224229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).