(3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol

C9H16O2S — CID 102327181

IUPAC(3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol
SMILESCCCCCC1=C[C@H](O)CS1=O
InChIInChI=1S/C9H16O2S/c1-2-3-4-5-9-6-8(10)7-12(9)11/h6,8,10H,2-5,7H2,1H3/t8-,12?/m0/s1
InChIKeyTUWIJUMMAMSDOS-KBPLZSHQSA-N
MW188.29 g/mol
LogP1.57
Rot. Bonds4

About (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol

(3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol (PubChem CID 102327181) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol.

Molecular Properties

Compound Name(3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol
PubChem CID102327181
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol
SMILESCCCCCC1=C[C@H](O)CS1=O
InChIInChI=1S/C9H16O2S/c1-2-3-4-5-9-6-8(10)7-12(9)11/h6,8,10H,2-5,7H2,1H3/t8-,12?/m0/s1
InChIKeyTUWIJUMMAMSDOS-KBPLZSHQSA-N
XLogP1.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol?
The IUPAC name of (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol (CID 102327181) is (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol.
What is the SMILES notation for (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol?
The canonical SMILES for (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol is CCCCCC1=C[C@H](O)CS1=O.
What is the InChIKey of (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol?
The InChIKey is TUWIJUMMAMSDOS-KBPLZSHQSA-N. The full InChI is InChI=1S/C9H16O2S/c1-2-3-4-5-9-6-8(10)7-12(9)11/h6,8,10H,2-5,7H2,1H3/t8-,12?/m0/s1.
What are the key properties of (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol?
(3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol has a molecular weight of 188.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-oxo-5-pentyl-2,3-dihydrothiophen-3-ol is sourced from PubChem (CID 102327181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).