(4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride

C7H11ClO3S — CID 138039662

IUPAC(4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride
SMILESCC12COC(CS(=O)(=O)Cl)(C1)C2
InChIInChI=1S/C7H11ClO3S/c1-6-2-7(3-6,11-4-6)5-12(8,9)10/h2-5H2,1H3
InChIKeyVIMVKWVDQLBKJL-UHFFFAOYSA-N
MW210.68 g/mol
LogP1.12
Rot. Bonds2

About (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride

(4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride (PubChem CID 138039662) has the molecular formula C7H11ClO3S and a molecular weight of 210.68 g/mol. Its IUPAC name is (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride
PubChem CID138039662
Molecular FormulaC7H11ClO3S
Molecular Weight210.68 g/mol
Exact Mass210.01
IUPAC Name(4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride
SMILESCC12COC(CS(=O)(=O)Cl)(C1)C2
InChIInChI=1S/C7H11ClO3S/c1-6-2-7(3-6,11-4-6)5-12(8,9)10/h2-5H2,1H3
InChIKeyVIMVKWVDQLBKJL-UHFFFAOYSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.68
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4-Dimethyloxolan-2-yl)methanesulfonyl chloride
CID 126970897
5,5-Dimethyloxolane-3-sulfonyl chloride
CID 126970912
[1-(Fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride
CID 154577105
[4-(Difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
CID 155970358
2-Oxabicyclo(2.1.1)hexane-1-methanesulfonyl chloride
CID 125449532
[4-(Trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
CID 154789946
{4-Methyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanesulfonyl fluoride
CID 165608550
{2-Oxabicyclo[2.1.1]hexan-1-yl}methanesulfonyl fluoride
CID 165862409
[1-(Fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonamide
CID 165890216
[1-(Fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl fluoride
CID 165898940
{2-Oxabicyclo[2.1.1]hexan-4-yl}methanesulfonyl fluoride
CID 165922523
[4-(Difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl fluoride
CID 165996444

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride?
The IUPAC name of (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride (CID 138039662) is (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride?
The canonical SMILES for (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride is CC12COC(CS(=O)(=O)Cl)(C1)C2.
What is the InChIKey of (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride?
The InChIKey is VIMVKWVDQLBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO3S/c1-6-2-7(3-6,11-4-6)5-12(8,9)10/h2-5H2,1H3.
What are the key properties of (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride?
(4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride has a molecular weight of 210.68 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride is sourced from PubChem (CID 138039662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).