(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride

C10H17ClO2S — CID 146020770

IUPAC(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride
SMILESCC1(C)C2CCC(CS(=O)(=O)Cl)C1C2
InChIInChI=1S/C10H17ClO2S/c1-10(2)8-4-3-7(9(10)5-8)6-14(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyJQCZVINSLLUTLA-UHFFFAOYSA-N
MW236.76 g/mol
LogP2.63
Rot. Bonds2

About (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride

(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride (PubChem CID 146020770) has the molecular formula C10H17ClO2S and a molecular weight of 236.76 g/mol. Its IUPAC name is (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride
PubChem CID146020770
Molecular FormulaC10H17ClO2S
Molecular Weight236.76 g/mol
Exact Mass236.06
IUPAC Name(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride
SMILESCC1(C)C2CCC(CS(=O)(=O)Cl)C1C2
InChIInChI=1S/C10H17ClO2S/c1-10(2)8-4-3-7(9(10)5-8)6-14(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyJQCZVINSLLUTLA-UHFFFAOYSA-N
XLogP2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.76
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride?
The IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride (CID 146020770) is (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride.
What is the SMILES notation for (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride?
The canonical SMILES for (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride is CC1(C)C2CCC(CS(=O)(=O)Cl)C1C2.
What is the InChIKey of (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride?
The InChIKey is JQCZVINSLLUTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2S/c1-10(2)8-4-3-7(9(10)5-8)6-14(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride?
(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride has a molecular weight of 236.76 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanesulfonyl chloride is sourced from PubChem (CID 146020770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).