2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane

C10H14BrNOS — CID 117226749

IUPAC2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane
SMILESCC1(C)CNC(c2ccc(Br)s2)OC1
InChIInChI=1S/C10H14BrNOS/c1-10(2)5-12-9(13-6-10)7-3-4-8(11)14-7/h3-4,9,12H,5-6H2,1-2H3
InChIKeyGGXGBCMVGTVYSD-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.16
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane

2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane (PubChem CID 117226749) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane
PubChem CID117226749
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane
SMILESCC1(C)CNC(c2ccc(Br)s2)OC1
InChIInChI=1S/C10H14BrNOS/c1-10(2)5-12-9(13-6-10)7-3-4-8(11)14-7/h3-4,9,12H,5-6H2,1-2H3
InChIKeyGGXGBCMVGTVYSD-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117228171
5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane
CID 117227065
5,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
CID 117227011
6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine
CID 65102206
4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine
CID 117269751
2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine
CID 117228170
3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride
CID 117227044
4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine
CID 117258210
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
2-(2-bromophenyl)-6,6-dimethyl-1,4-oxazepane
CID 115362109
2-(5-bromothiophen-2-yl)morpholine
CID 60999597
2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride
CID 117228203

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane (CID 117226749) is 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane is CC1(C)CNC(c2ccc(Br)s2)OC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane?
The InChIKey is GGXGBCMVGTVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-10(2)5-12-9(13-6-10)7-3-4-8(11)14-7/h3-4,9,12H,5-6H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane?
2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane has a molecular weight of 276.20 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane is sourced from PubChem (CID 117226749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).