(3,3-dimethyloxan-2-yl)methanesulfonyl chloride

C8H15ClO3S — CID 138039556

IUPAC(3,3-dimethyloxan-2-yl)methanesulfonyl chloride
SMILESCC1(C)CCCOC1CS(=O)(=O)Cl
InChIInChI=1S/C8H15ClO3S/c1-8(2)4-3-5-12-7(8)6-13(9,10)11/h7H,3-6H2,1-2H3
InChIKeyHOTGTFWDILZKOY-UHFFFAOYSA-N
MW226.72 g/mol
LogP1.76
Rot. Bonds2

About (3,3-dimethyloxan-2-yl)methanesulfonyl chloride

(3,3-dimethyloxan-2-yl)methanesulfonyl chloride (PubChem CID 138039556) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is (3,3-dimethyloxan-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,3-dimethyloxan-2-yl)methanesulfonyl chloride
PubChem CID138039556
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Name(3,3-dimethyloxan-2-yl)methanesulfonyl chloride
SMILESCC1(C)CCCOC1CS(=O)(=O)Cl
InChIInChI=1S/C8H15ClO3S/c1-8(2)4-3-5-12-7(8)6-13(9,10)11/h7H,3-6H2,1-2H3
InChIKeyHOTGTFWDILZKOY-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Oxan-4-yl)propane-1-sulfonyl chloride
CID 83709845
(3-Methyloxan-3-yl)methanesulfonyl chloride
CID 105466432
2-Methyl-2-(oxan-4-yl)propane-1-sulfonyl chloride
CID 115044010
(6,6-Dimethyloxan-2-yl)methanesulfonyl chloride
CID 126970893
(5-Methyloxan-2-yl)methanesulfonyl chloride
CID 145915643
7-Oxaspiro[3.5]nonane-2-sulfonyl chloride
CID 146049590
(7-Oxaspiro(3.5)nonan-6-yl)methanesulfonyl chloride
CID 155821818
{7-Oxaspiro[3.5]nonan-2-yl}methanesulfonyl chloride
CID 155822982
(4-Ethyloxan-4-yl)methanesulfonylchloride
CID 165457985
[4-(Propan-2-yl)oxan-4-yl]methanesulfonyl chloride
CID 165948521
(2-Methyloxan-4-yl)methanesulfonyl fluoride
CID 165662892
(5,5-Dimethyloxan-2-yl)methanesulfonyl fluoride
CID 165790749

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyloxan-2-yl)methanesulfonyl chloride?
The IUPAC name of (3,3-dimethyloxan-2-yl)methanesulfonyl chloride (CID 138039556) is (3,3-dimethyloxan-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (3,3-dimethyloxan-2-yl)methanesulfonyl chloride?
The canonical SMILES for (3,3-dimethyloxan-2-yl)methanesulfonyl chloride is CC1(C)CCCOC1CS(=O)(=O)Cl.
What is the InChIKey of (3,3-dimethyloxan-2-yl)methanesulfonyl chloride?
The InChIKey is HOTGTFWDILZKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3S/c1-8(2)4-3-5-12-7(8)6-13(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of (3,3-dimethyloxan-2-yl)methanesulfonyl chloride?
(3,3-dimethyloxan-2-yl)methanesulfonyl chloride has a molecular weight of 226.72 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyloxan-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 138039556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).