(4-methyloxolan-2-yl)methanesulfonyl chloride

C6H11ClO3S — CID 131627526

IUPAC(4-methyloxolan-2-yl)methanesulfonyl chloride
SMILESCC1COC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C6H11ClO3S/c1-5-2-6(10-3-5)4-11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyFCIRATNYSMKSJX-UHFFFAOYSA-N
MW198.67 g/mol
LogP0.98
Rot. Bonds2

About (4-methyloxolan-2-yl)methanesulfonyl chloride

(4-methyloxolan-2-yl)methanesulfonyl chloride (PubChem CID 131627526) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is (4-methyloxolan-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-methyloxolan-2-yl)methanesulfonyl chloride
PubChem CID131627526
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name(4-methyloxolan-2-yl)methanesulfonyl chloride
SMILESCC1COC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C6H11ClO3S/c1-5-2-6(10-3-5)4-11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyFCIRATNYSMKSJX-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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Related Compounds

Oxolan-2-ylmethanesulfonyl chloride
CID 22636887
rac-(2R,3R)-2-methyloxolane-3-sulfonyl chloride
CID 98113531
rac-((2R,3S)-3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
3-(Oxolan-3-yl)propane-1-sulfonyl chloride
CID 122163366
(4,4-Dimethyloxolan-2-yl)methanesulfonyl chloride
CID 126970897
5,5-Dimethyloxolane-3-sulfonyl chloride
CID 126970912
(5,5-Dimethyloxolan-3-yl)methanesulfonyl chloride
CID 131172408
(3-Ethoxycyclobutyl)methanesulfonyl chloride
CID 131271440
2-Cyclopropyl-2-ethoxyethane-1-sulfonyl chloride
CID 131302460
(3,3-Dimethyloxolan-2-yl)methanesulfonyl chloride
CID 132371678
(5-Methyloxan-2-yl)methanesulfonyl chloride
CID 145915643
rac-((1R,2R)-2-methoxycyclobutyl)methanesulfonyl chloride
CID 155822063

Frequently Asked Questions

What is the IUPAC name of (4-methyloxolan-2-yl)methanesulfonyl chloride?
The IUPAC name of (4-methyloxolan-2-yl)methanesulfonyl chloride (CID 131627526) is (4-methyloxolan-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-methyloxolan-2-yl)methanesulfonyl chloride?
The canonical SMILES for (4-methyloxolan-2-yl)methanesulfonyl chloride is CC1COC(CS(=O)(=O)Cl)C1.
What is the InChIKey of (4-methyloxolan-2-yl)methanesulfonyl chloride?
The InChIKey is FCIRATNYSMKSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-5-2-6(10-3-5)4-11(7,8)9/h5-6H,2-4H2,1H3.
What are the key properties of (4-methyloxolan-2-yl)methanesulfonyl chloride?
(4-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 (4-methyloxolan-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 131627526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).