3-[1-(benzenesulfinyl)propyl]furan

C13H14O2S — CID 3711110

IUPAC3-[1-(benzenesulfinyl)propyl]furan
SMILESCCC(c1ccoc1)S(=O)c1ccccc1
InChIInChI=1S/C13H14O2S/c1-2-13(11-8-9-15-10-11)16(14)12-6-4-3-5-7-12/h3-10,13H,2H2,1H3
InChIKeyZDAZJBYMXPNKMH-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.54
Rot. Bonds4

About 3-[1-(benzenesulfinyl)propyl]furan

3-[1-(benzenesulfinyl)propyl]furan (PubChem CID 3711110) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[1-(benzenesulfinyl)propyl]furan.

Molecular Properties

Compound Name3-[1-(benzenesulfinyl)propyl]furan
PubChem CID3711110
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name3-[1-(benzenesulfinyl)propyl]furan
SMILESCCC(c1ccoc1)S(=O)c1ccccc1
InChIInChI=1S/C13H14O2S/c1-2-13(11-8-9-15-10-11)16(14)12-6-4-3-5-7-12/h3-10,13H,2H2,1H3
InChIKeyZDAZJBYMXPNKMH-UHFFFAOYSA-N
XLogP3.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1-(benzenesulfinyl)propyl]furan 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

(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid
CID 95909198
N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
CID 115855374
1-(furan-3-yl)-2-phenylsulfanylethanamine
CID 65142361
3-(benzenesulfinyl)pentanenitrile
CID 64690029
1-fluorobutylsulfinylbenzene
CID 10954577
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one
CID 102311253
1-(furan-3-yl)-3-phenylbutan-1-ol
CID 63948352
[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene
CID 16720775
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
CID 171231952
2-amino-2-(furan-3-yl)acetic acid
CID 4564162
methyl 2-benzyl-5-(furan-3-yl)-5-hydroxy-3-oxopentanoate
CID 10662103

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfinyl)propyl]furan?
The IUPAC name of 3-[1-(benzenesulfinyl)propyl]furan (CID 3711110) is 3-[1-(benzenesulfinyl)propyl]furan.
What is the SMILES notation for 3-[1-(benzenesulfinyl)propyl]furan?
The canonical SMILES for 3-[1-(benzenesulfinyl)propyl]furan is CCC(c1ccoc1)S(=O)c1ccccc1.
What is the InChIKey of 3-[1-(benzenesulfinyl)propyl]furan?
The InChIKey is ZDAZJBYMXPNKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-2-13(11-8-9-15-10-11)16(14)12-6-4-3-5-7-12/h3-10,13H,2H2,1H3.
What are the key properties of 3-[1-(benzenesulfinyl)propyl]furan?
3-[1-(benzenesulfinyl)propyl]furan has a molecular weight of 234.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfinyl)propyl]furan is sourced from PubChem (CID 3711110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).