5-methyloxolane-3-sulfonyl chloride

C5H9ClO3S — CID 165446323

IUPAC5-methyloxolane-3-sulfonyl chloride
SMILESCC1CC(S(=O)(=O)Cl)CO1
InChIInChI=1S/C5H9ClO3S/c1-4-2-5(3-9-4)10(6,7)8/h4-5H,2-3H2,1H3
InChIKeyBQEQSEDSNOZLBM-UHFFFAOYSA-N
MW184.64 g/mol
LogP0.73
Rot. Bonds1

About 5-methyloxolane-3-sulfonyl chloride

5-methyloxolane-3-sulfonyl chloride (PubChem CID 165446323) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is 5-methyloxolane-3-sulfonyl chloride.

Molecular Properties

Compound Name5-methyloxolane-3-sulfonyl chloride
PubChem CID165446323
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Name5-methyloxolane-3-sulfonyl chloride
SMILESCC1CC(S(=O)(=O)Cl)CO1
InChIInChI=1S/C5H9ClO3S/c1-4-2-5(3-9-4)10(6,7)8/h4-5H,2-3H2,1H3
InChIKeyBQEQSEDSNOZLBM-UHFFFAOYSA-N
XLogP0.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Propyl-1,2-oxathiolane-2,2-dioxide
CID 15421504
Furan, tetrahydro-2-((methylsulfonyl)methyl)-
CID 27251
Oxolan-2-ylmethanesulfonyl chloride
CID 22636887
2-(Propan-2-yloxy)ethane-1-sulfonyl chloride
CID 56828872
Oxolan-2-ylmethanesulfonamide
CID 61064069
3-(Propan-2-yloxy)propane-1-sulfonyl chloride
CID 64198864
2-(Oxolan-2-yl)ethane-1-sulfonyl chloride
CID 65158435
rac-(2R,3R)-2-methyloxolane-3-sulfonyl chloride
CID 98113531
rac-((2R,3S)-3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
rac-(1R,2S)-2-methoxycyclopentane-1-sulfonyl chloride
CID 122163732
(4,4-Dimethyloxolan-2-yl)methanesulfonyl chloride
CID 126970897
5,5-Dimethyloxolane-3-sulfonyl chloride
CID 126970912

Frequently Asked Questions

What is the IUPAC name of 5-methyloxolane-3-sulfonyl chloride?
The IUPAC name of 5-methyloxolane-3-sulfonyl chloride (CID 165446323) is 5-methyloxolane-3-sulfonyl chloride.
What is the SMILES notation for 5-methyloxolane-3-sulfonyl chloride?
The canonical SMILES for 5-methyloxolane-3-sulfonyl chloride is CC1CC(S(=O)(=O)Cl)CO1.
What is the InChIKey of 5-methyloxolane-3-sulfonyl chloride?
The InChIKey is BQEQSEDSNOZLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c1-4-2-5(3-9-4)10(6,7)8/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyloxolane-3-sulfonyl chloride?
5-methyloxolane-3-sulfonyl chloride has a molecular weight of 184.64 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolane-3-sulfonyl chloride is sourced from PubChem (CID 165446323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).