9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane

C14H20BrNOS — CID 103968939

IUPAC9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
SMILESBrc1ccc(C2CNCC3(CCCCC3)CO2)s1
InChIInChI=1S/C14H20BrNOS/c15-13-5-4-12(18-13)11-8-16-9-14(10-17-11)6-2-1-3-7-14/h4-5,11,16H,1-3,6-10H2
InChIKeyXOSASEFBQBHWJO-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.12
Rot. Bonds1

About 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane

9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane (PubChem CID 103968939) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
PubChem CID103968939
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
SMILESBrc1ccc(C2CNCC3(CCCCC3)CO2)s1
InChIInChI=1S/C14H20BrNOS/c15-13-5-4-12(18-13)11-8-16-9-14(10-17-11)6-2-1-3-7-14/h4-5,11,16H,1-3,6-10H2
InChIKeyXOSASEFBQBHWJO-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
2-(5-bromothiophen-2-yl)morpholine
CID 60999597
9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968917
6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine
CID 65102206
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117228171

Frequently Asked Questions

What is the IUPAC name of 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane (CID 103968939) is 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane is Brc1ccc(C2CNCC3(CCCCC3)CO2)s1.
What is the InChIKey of 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane?
The InChIKey is XOSASEFBQBHWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c15-13-5-4-12(18-13)11-8-16-9-14(10-17-11)6-2-1-3-7-14/h4-5,11,16H,1-3,6-10H2.
What are the key properties of 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane?
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane has a molecular weight of 330.29 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 103968939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).