(5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C14H17BrO2S — CID 79921875

IUPAC(5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(Br)s1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H17BrO2S/c15-12-4-3-11(18-12)13(16)10-5-8-17-14(9-10)6-1-2-7-14/h3-4,10H,1-2,5-9H2
InChIKeyZFLGZCLXFWYIQW-UHFFFAOYSA-N
MW329.26 g/mol
LogP4.43
Rot. Bonds2

About (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 79921875) has the molecular formula C14H17BrO2S and a molecular weight of 329.26 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID79921875
Molecular FormulaC14H17BrO2S
Molecular Weight329.26 g/mol
Exact Mass328.01
IUPAC Name(5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(Br)s1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H17BrO2S/c15-12-4-3-11(18-12)13(16)10-5-8-17-14(9-10)6-1-2-7-14/h3-4,10H,1-2,5-9H2
InChIKeyZFLGZCLXFWYIQW-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone 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

(4,5-dibromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787316
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783991
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-2-yl)methanone
CID 79912888
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
(5-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787252
(5-amino-2-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116602799
5-oxaspiro[3.5]nonan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115783848
(3-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787814
(5-ethylthiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788169
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 79921875) is (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is O=C(c1ccc(Br)s1)C1CCOC2(CCCC2)C1.
What is the InChIKey of (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is ZFLGZCLXFWYIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2S/c15-12-4-3-11(18-12)13(16)10-5-8-17-14(9-10)6-1-2-7-14/h3-4,10H,1-2,5-9H2.
What are the key properties of (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 329.26 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 79921875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).