3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran

C10H16O3S — CID 99828661

IUPAC3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran
SMILESCOCCCC[S@](=O)c1ccoc1C
InChIInChI=1S/C10H16O3S/c1-9-10(5-7-13-9)14(11)8-4-3-6-12-2/h5,7H,3-4,6,8H2,1-2H3/t14-/m0/s1
InChIKeyGCTZRLVNFHXXKN-AWEZNQCLSA-N
MW216.30 g/mol
LogP2.12
Rot. Bonds6

About 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran

3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran (PubChem CID 99828661) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran.

Molecular Properties

Compound Name3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran
PubChem CID99828661
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran
SMILESCOCCCC[S@](=O)c1ccoc1C
InChIInChI=1S/C10H16O3S/c1-9-10(5-7-13-9)14(11)8-4-3-6-12-2/h5,7H,3-4,6,8H2,1-2H3/t14-/m0/s1
InChIKeyGCTZRLVNFHXXKN-AWEZNQCLSA-N
XLogP2.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran?
The IUPAC name of 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran (CID 99828661) is 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran.
What is the SMILES notation for 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran?
The canonical SMILES for 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran is COCCCC[S@](=O)c1ccoc1C.
What is the InChIKey of 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran?
The InChIKey is GCTZRLVNFHXXKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C10H16O3S/c1-9-10(5-7-13-9)14(11)8-4-3-6-12-2/h5,7H,3-4,6,8H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran?
3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran has a molecular weight of 216.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-4-methoxybutylsulfinyl]-2-methylfuran is sourced from PubChem (CID 99828661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).