3-(chloromethylsulfonyl)-2-methyloxolane

C6H11ClO3S — CID 107746968

IUPAC3-(chloromethylsulfonyl)-2-methyloxolane
SMILESCC1OCCC1S(=O)(=O)CCl
InChIInChI=1S/C6H11ClO3S/c1-5-6(2-3-10-5)11(8,9)4-7/h5-6H,2-4H2,1H3
InChIKeyOJRNEVKKZBQCFS-UHFFFAOYSA-N
MW198.67 g/mol
LogP0.77
Rot. Bonds2

About 3-(chloromethylsulfonyl)-2-methyloxolane

3-(chloromethylsulfonyl)-2-methyloxolane (PubChem CID 107746968) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is 3-(chloromethylsulfonyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(chloromethylsulfonyl)-2-methyloxolane
PubChem CID107746968
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name3-(chloromethylsulfonyl)-2-methyloxolane
SMILESCC1OCCC1S(=O)(=O)CCl
InChIInChI=1S/C6H11ClO3S/c1-5-6(2-3-10-5)11(8,9)4-7/h5-6H,2-4H2,1H3
InChIKeyOJRNEVKKZBQCFS-UHFFFAOYSA-N
XLogP0.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloropropylsulfonyl)-2-methyloxolane
CID 107746967
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756941
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
2-methyloxolane-3-sulfonyl fluoride
CID 165460627
3-(2-azidoethylsulfonyl)-2-methyloxolane
CID 107754203
1-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758059
3-(3-azidopropylsulfonyl)-2-methyloxolane
CID 107754204
5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
CID 107746515
N-(cyanomethyl)-2-methyloxolane-3-sulfonamide
CID 130689692
2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine
CID 107756899
(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
CID 97326442

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethylsulfonyl)-2-methyloxolane?
The IUPAC name of 3-(chloromethylsulfonyl)-2-methyloxolane (CID 107746968) is 3-(chloromethylsulfonyl)-2-methyloxolane.
What is the SMILES notation for 3-(chloromethylsulfonyl)-2-methyloxolane?
The canonical SMILES for 3-(chloromethylsulfonyl)-2-methyloxolane is CC1OCCC1S(=O)(=O)CCl.
What is the InChIKey of 3-(chloromethylsulfonyl)-2-methyloxolane?
The InChIKey is OJRNEVKKZBQCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-5-6(2-3-10-5)11(8,9)4-7/h5-6H,2-4H2,1H3.
What are the key properties of 3-(chloromethylsulfonyl)-2-methyloxolane?
3-(chloromethylsulfonyl)-2-methyloxolane has a molecular weight of 198.67 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethylsulfonyl)-2-methyloxolane is sourced from PubChem (CID 107746968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).