(2S)-2-methoxypropane-1-sulfonyl fluoride

C4H9FO3S — CID 124710030

IUPAC(2S)-2-methoxypropane-1-sulfonyl fluoride
SMILESCO[C@@H](C)CS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyREFNSYLDAYDSLE-BYPYZUCNSA-N
MW156.18 g/mol
LogP0.32
Rot. Bonds3

About (2S)-2-methoxypropane-1-sulfonyl fluoride

(2S)-2-methoxypropane-1-sulfonyl fluoride (PubChem CID 124710030) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is (2S)-2-methoxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name(2S)-2-methoxypropane-1-sulfonyl fluoride
PubChem CID124710030
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name(2S)-2-methoxypropane-1-sulfonyl fluoride
SMILESCO[C@@H](C)CS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyREFNSYLDAYDSLE-BYPYZUCNSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxypropane-1-sulfonyl fluoride?
The IUPAC name of (2S)-2-methoxypropane-1-sulfonyl fluoride (CID 124710030) is (2S)-2-methoxypropane-1-sulfonyl fluoride.
What is the SMILES notation for (2S)-2-methoxypropane-1-sulfonyl fluoride?
The canonical SMILES for (2S)-2-methoxypropane-1-sulfonyl fluoride is CO[C@@H](C)CS(=O)(=O)F.
What is the InChIKey of (2S)-2-methoxypropane-1-sulfonyl fluoride?
The InChIKey is REFNSYLDAYDSLE-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-2-methoxypropane-1-sulfonyl fluoride?
(2S)-2-methoxypropane-1-sulfonyl fluoride has a molecular weight of 156.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 124710030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).