5,5-dimethyloxolane-3-sulfonyl chloride

C6H11ClO3S — CID 126970912

IUPAC5,5-dimethyloxolane-3-sulfonyl chloride
SMILESCC1(C)CC(S(=O)(=O)Cl)CO1
InChIInChI=1S/C6H11ClO3S/c1-6(2)3-5(4-10-6)11(7,8)9/h5H,3-4H2,1-2H3
InChIKeyVCORSXQABVZEKQ-UHFFFAOYSA-N
MW198.67 g/mol
LogP1.12
Rot. Bonds1

About 5,5-dimethyloxolane-3-sulfonyl chloride

5,5-dimethyloxolane-3-sulfonyl chloride (PubChem CID 126970912) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is 5,5-dimethyloxolane-3-sulfonyl chloride.

Molecular Properties

Compound Name5,5-dimethyloxolane-3-sulfonyl chloride
PubChem CID126970912
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name5,5-dimethyloxolane-3-sulfonyl chloride
SMILESCC1(C)CC(S(=O)(=O)Cl)CO1
InChIInChI=1S/C6H11ClO3S/c1-6(2)3-5(4-10-6)11(7,8)9/h5H,3-4H2,1-2H3
InChIKeyVCORSXQABVZEKQ-UHFFFAOYSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(2R,3R)-2-methyloxolane-3-sulfonyl chloride
CID 98113531
rac-((2R,3S)-3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
(1-Ethoxycyclobutyl)methanesulfonyl chloride
CID 115028154
5,5-Dimethyloxolane-3-sulfonamide
CID 126818760
(4,4-Dimethyloxolan-2-yl)methanesulfonyl chloride
CID 126970897
(5,5-Dimethyloxolan-3-yl)methanesulfonyl chloride
CID 131172408
(4-Methyloxolan-2-yl)methanesulfonyl chloride
CID 131627526
(3,3-Dimethyloxolan-2-yl)methanesulfonyl chloride
CID 132371678
5-Methyloxolane-3-sulfonyl chloride
CID 165446323
2-Oxabicyclo(2.1.1)hexane-1-methanesulfonyl chloride
CID 125449532
(4-Methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride
CID 138039662
(5,5-Dimethyloxolan-2-yl)methanesulfonyl fluoride
CID 165680954

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyloxolane-3-sulfonyl chloride?
The IUPAC name of 5,5-dimethyloxolane-3-sulfonyl chloride (CID 126970912) is 5,5-dimethyloxolane-3-sulfonyl chloride.
What is the SMILES notation for 5,5-dimethyloxolane-3-sulfonyl chloride?
The canonical SMILES for 5,5-dimethyloxolane-3-sulfonyl chloride is CC1(C)CC(S(=O)(=O)Cl)CO1.
What is the InChIKey of 5,5-dimethyloxolane-3-sulfonyl chloride?
The InChIKey is VCORSXQABVZEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-6(2)3-5(4-10-6)11(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 5,5-dimethyloxolane-3-sulfonyl chloride?
5,5-dimethyloxolane-3-sulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyloxolane-3-sulfonyl chloride is sourced from PubChem (CID 126970912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).