2-[(3-bromothiophen-2-yl)methyl]oxazinane

C9H12BrNOS — CID 130735612

IUPAC2-[(3-bromothiophen-2-yl)methyl]oxazinane
SMILESBrc1ccsc1CN1CCCCO1
InChIInChI=1S/C9H12BrNOS/c10-8-3-6-13-9(8)7-11-4-1-2-5-12-11/h3,6H,1-2,4-5,7H2
InChIKeyWOKXLKNZMIOFDE-UHFFFAOYSA-N
MW262.17 g/mol
LogP3.04
Rot. Bonds2

About 2-[(3-bromothiophen-2-yl)methyl]oxazinane

2-[(3-bromothiophen-2-yl)methyl]oxazinane (PubChem CID 130735612) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]oxazinane.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]oxazinane
PubChem CID130735612
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]oxazinane
SMILESBrc1ccsc1CN1CCCCO1
InChIInChI=1S/C9H12BrNOS/c10-8-3-6-13-9(8)7-11-4-1-2-5-12-11/h3,6H,1-2,4-5,7H2
InChIKeyWOKXLKNZMIOFDE-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 130964829
1-[(3-bromothiophen-2-yl)methyl]-2-ethylazepane
CID 104691377
4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine
CID 55208223
(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
CID 102977246
N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62639959
2-[(3-bromothiophen-2-yl)methyl]-1,2-oxazol-3-one
CID 130667819
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62546532
1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318690
4-[(3-bromothiophen-2-yl)methyl]morpholine;(3-bromothiophen-2-yl)-morpholin-4-ylmethanone
CID 161198104
4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 113422903
2-[(3-bromothiophen-2-yl)methyl]pyrazol-3-amine
CID 115380251
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918697

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]oxazinane?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]oxazinane (CID 130735612) is 2-[(3-bromothiophen-2-yl)methyl]oxazinane.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]oxazinane?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]oxazinane is Brc1ccsc1CN1CCCCO1.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]oxazinane?
The InChIKey is WOKXLKNZMIOFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c10-8-3-6-13-9(8)7-11-4-1-2-5-12-11/h3,6H,1-2,4-5,7H2.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]oxazinane?
2-[(3-bromothiophen-2-yl)methyl]oxazinane has a molecular weight of 262.17 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]oxazinane is sourced from PubChem (CID 130735612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).