[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride

C7H13ClO4S — CID 125041432

IUPAC[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride
SMILESCCO[C@@]1(CS(=O)(=O)Cl)CCOC1
InChIInChI=1S/C7H13ClO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3/t7-/m0/s1
InChIKeyJACKZDXADVKXHW-ZETCQYMHSA-N
MW228.70 g/mol
LogP0.75
Rot. Bonds4

About [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride

[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride (PubChem CID 125041432) has the molecular formula C7H13ClO4S and a molecular weight of 228.70 g/mol. Its IUPAC name is [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride
PubChem CID125041432
Molecular FormulaC7H13ClO4S
Molecular Weight228.70 g/mol
Exact Mass228.02
IUPAC Name[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride
SMILESCCO[C@@]1(CS(=O)(=O)Cl)CCOC1
InChIInChI=1S/C7H13ClO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3/t7-/m0/s1
InChIKeyJACKZDXADVKXHW-ZETCQYMHSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride?
The IUPAC name of [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride (CID 125041432) is [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride?
The canonical SMILES for [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride is CCO[C@@]1(CS(=O)(=O)Cl)CCOC1.
What is the InChIKey of [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride?
The InChIKey is JACKZDXADVKXHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13ClO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3/t7-/m0/s1.
What are the key properties of [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride?
[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride has a molecular weight of 228.70 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 125041432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).