3-methoxypropane-1-sulfonyl fluoride

C4H9FO3S — CID 46899852

IUPAC3-methoxypropane-1-sulfonyl fluoride
SMILESCOCCCS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3
InChIKeyHKLSECKCOSGZFS-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.32
Rot. Bonds4

About 3-methoxypropane-1-sulfonyl fluoride

3-methoxypropane-1-sulfonyl fluoride (PubChem CID 46899852) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-methoxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-methoxypropane-1-sulfonyl fluoride
PubChem CID46899852
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name3-methoxypropane-1-sulfonyl fluoride
SMILESCOCCCS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3
InChIKeyHKLSECKCOSGZFS-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxypropane-1-sulfonyl fluoride 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

methyl 3-methoxypropane-1-sulfonate
CID 59109575
3-methoxypropane-1-sulfonamide
CID 22737399
pentane-1,5-disulfonyl fluoride
CID 126970733
1-(3-methoxypropylsulfonyl)-2,2-dimethylpropane
CID 134597513
1-ethenylsulfonyl-3-methoxypropane
CID 63857366
1-chloro-6-(3-methoxypropylsulfonyl)hexane
CID 63857365
3-(3-methoxypropylsulfonyl)-N-methylpropan-1-amine
CID 64675855
1,1-difluoro-5-methoxypentane-1-sulfonic acid
CID 58100652
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
3-methoxypropyl methanesulfonate
CID 11693963
1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine
CID 107508649
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropane-1-sulfonyl fluoride?
The IUPAC name of 3-methoxypropane-1-sulfonyl fluoride (CID 46899852) is 3-methoxypropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-methoxypropane-1-sulfonyl fluoride?
The canonical SMILES for 3-methoxypropane-1-sulfonyl fluoride is COCCCS(=O)(=O)F.
What is the InChIKey of 3-methoxypropane-1-sulfonyl fluoride?
The InChIKey is HKLSECKCOSGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3.
What are the key properties of 3-methoxypropane-1-sulfonyl fluoride?
3-methoxypropane-1-sulfonyl fluoride has a molecular weight of 156.18 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 46899852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).