(3S,4R)-4-methoxyoxolane-3-sulfonyl chloride

C5H9ClO4S — CID 124710168

IUPAC(3S,4R)-4-methoxyoxolane-3-sulfonyl chloride
SMILESCO[C@@H]1COC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeySQVLOCURKZSIMR-UHNVWZDZSA-N
MW200.64 g/mol
LogP-0.03
Rot. Bonds2

About (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride

(3S,4R)-4-methoxyoxolane-3-sulfonyl chloride (PubChem CID 124710168) has the molecular formula C5H9ClO4S and a molecular weight of 200.64 g/mol. Its IUPAC name is (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride.

Molecular Properties

Compound Name(3S,4R)-4-methoxyoxolane-3-sulfonyl chloride
PubChem CID124710168
Molecular FormulaC5H9ClO4S
Molecular Weight200.64 g/mol
Exact Mass199.99
IUPAC Name(3S,4R)-4-methoxyoxolane-3-sulfonyl chloride
SMILESCO[C@@H]1COC[C@@H]1S(=O)(=O)Cl
InChIInChI=1S/C5H9ClO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeySQVLOCURKZSIMR-UHNVWZDZSA-N
XLogP-0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride?
The IUPAC name of (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride (CID 124710168) is (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride.
What is the SMILES notation for (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride?
The canonical SMILES for (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride is CO[C@@H]1COC[C@@H]1S(=O)(=O)Cl.
What is the InChIKey of (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride?
The InChIKey is SQVLOCURKZSIMR-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9ClO4S/c1-9-4-2-10-3-5(4)11(6,7)8/h4-5H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride?
(3S,4R)-4-methoxyoxolane-3-sulfonyl chloride has a molecular weight of 200.64 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxyoxolane-3-sulfonyl chloride is sourced from PubChem (CID 124710168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).