[(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride

C10H17ClO2S — CID 146020771

IUPAC[(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride
SMILESCC1(C)C2CCC(CS(=O)(=O)Cl)[C@H]1C2
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/t7?,8?,9-/m1/s1
InChIKeyJQCZVINSLLUTLA-AMDVSUOASA-N
MW236.76 g/mol
LogP2.63
Rot. Bonds2

About [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride

[(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride (PubChem CID 146020771) has the molecular formula C10H17ClO2S and a molecular weight of 236.76 g/mol. Its IUPAC name is [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride
PubChem CID146020771
Molecular FormulaC10H17ClO2S
Molecular Weight236.76 g/mol
Exact Mass236.06
IUPAC Name[(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride
SMILESCC1(C)C2CCC(CS(=O)(=O)Cl)[C@H]1C2
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/t7?,8?,9-/m1/s1
InChIKeyJQCZVINSLLUTLA-AMDVSUOASA-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 [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride?
The IUPAC name of [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride (CID 146020771) is [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride.
What is the SMILES notation for [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride?
The canonical SMILES for [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride is CC1(C)C2CCC(CS(=O)(=O)Cl)[C@H]1C2.
What is the InChIKey of [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride?
The InChIKey is JQCZVINSLLUTLA-AMDVSUOASA-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/t7?,8?,9-/m1/s1.
What are the key properties of [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride?
[(1R)-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 [(1R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanesulfonyl chloride is sourced from PubChem (CID 146020771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).