1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride

C6H9ClO2S — CID 146048616

IUPAC1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12CC(C1)C2
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)4-6-1-5(2-6)3-6/h5H,1-4H2
InChIKeyGXCMLLUFEUPDAI-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.36
Rot. Bonds2

About 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride

1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride (PubChem CID 146048616) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride.

Molecular Properties

Compound Name1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride
PubChem CID146048616
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Name1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12CC(C1)C2
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)4-6-1-5(2-6)3-6/h5H,1-4H2
InChIKeyGXCMLLUFEUPDAI-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride?
The IUPAC name of 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride (CID 146048616) is 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride.
What is the SMILES notation for 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride?
The canonical SMILES for 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride is O=S(=O)(Cl)CC12CC(C1)C2.
What is the InChIKey of 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride?
The InChIKey is GXCMLLUFEUPDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c7-10(8,9)4-6-1-5(2-6)3-6/h5H,1-4H2.
What are the key properties of 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride?
1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride has a molecular weight of 180.66 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride is sourced from PubChem (CID 146048616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).