(3-methyloxolan-2-yl)methanesulfonyl chloride

C6H11ClO3S — CID 112639744

IUPAC(3-methyloxolan-2-yl)methanesulfonyl chloride
SMILESCC1CCOC1CS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO3S/c1-5-2-3-10-6(5)4-11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyWEAYCXRZZIOPAO-UHFFFAOYSA-N
MW198.67 g/mol
LogP0.98
Rot. Bonds2

About (3-methyloxolan-2-yl)methanesulfonyl chloride

(3-methyloxolan-2-yl)methanesulfonyl chloride (PubChem CID 112639744) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)methanesulfonyl chloride
PubChem CID112639744
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name(3-methyloxolan-2-yl)methanesulfonyl chloride
SMILESCC1CCOC1CS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO3S/c1-5-2-3-10-6(5)4-11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyWEAYCXRZZIOPAO-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)methanesulfonyl chloride?
The IUPAC name of (3-methyloxolan-2-yl)methanesulfonyl chloride (CID 112639744) is (3-methyloxolan-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (3-methyloxolan-2-yl)methanesulfonyl chloride?
The canonical SMILES for (3-methyloxolan-2-yl)methanesulfonyl chloride is CC1CCOC1CS(=O)(=O)Cl.
What is the InChIKey of (3-methyloxolan-2-yl)methanesulfonyl chloride?
The InChIKey is WEAYCXRZZIOPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-5-2-3-10-6(5)4-11(7,8)9/h5-6H,2-4H2,1H3.
What are the key properties of (3-methyloxolan-2-yl)methanesulfonyl chloride?
(3-methyloxolan-2-yl)methanesulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 112639744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).