oxan-4-yl(thiophen-3-yl)methanone

C10H12O2S — CID 18994237

IUPACoxan-4-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)C1CCOCC1
InChIInChI=1S/C10H12O2S/c11-10(9-3-6-13-7-9)8-1-4-12-5-2-8/h3,6-8H,1-2,4-5H2
InChIKeyQRUJMECJQDSNBC-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.36
Rot. Bonds2

About oxan-4-yl(thiophen-3-yl)methanone

oxan-4-yl(thiophen-3-yl)methanone (PubChem CID 18994237) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is oxan-4-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl(thiophen-3-yl)methanone
PubChem CID18994237
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Nameoxan-4-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)C1CCOCC1
InChIInChI=1S/C10H12O2S/c11-10(9-3-6-13-7-9)8-1-4-12-5-2-8/h3,6-8H,1-2,4-5H2
InChIKeyQRUJMECJQDSNBC-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxan-4-yl(thiophen-3-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-(oxan-4-yl)phenyl]-thiophen-3-ylmethanone
CID 135283503
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
(3,5-difluorophenyl)-(oxan-4-yl)methanone
CID 63936069
(4-bromothiophen-3-yl)-(oxan-4-yl)methanone
CID 79596494
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
(3-bromophenyl)-(oxan-4-yl)methanone
CID 63934842
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
CID 123320476
(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(thiophen-3-yl)methanone?
The IUPAC name of oxan-4-yl(thiophen-3-yl)methanone (CID 18994237) is oxan-4-yl(thiophen-3-yl)methanone.
What is the SMILES notation for oxan-4-yl(thiophen-3-yl)methanone?
The canonical SMILES for oxan-4-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)C1CCOCC1.
What is the InChIKey of oxan-4-yl(thiophen-3-yl)methanone?
The InChIKey is QRUJMECJQDSNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c11-10(9-3-6-13-7-9)8-1-4-12-5-2-8/h3,6-8H,1-2,4-5H2.
What are the key properties of oxan-4-yl(thiophen-3-yl)methanone?
oxan-4-yl(thiophen-3-yl)methanone has a molecular weight of 196.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 18994237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).