1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane

C7H12O2S — CID 174156092

IUPAC1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane
SMILESCS(=O)(=O)CC12CC(C1)C2
InChIInChI=1S/C7H12O2S/c1-10(8,9)5-7-2-6(3-7)4-7/h6H,2-5H2,1H3
InChIKeyPHMBGSREUMLHFF-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.83
Rot. Bonds2

About 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane

1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane (PubChem CID 174156092) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane
PubChem CID174156092
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane
SMILESCS(=O)(=O)CC12CC(C1)C2
InChIInChI=1S/C7H12O2S/c1-10(8,9)5-7-2-6(3-7)4-7/h6H,2-5H2,1H3
InChIKeyPHMBGSREUMLHFF-UHFFFAOYSA-N
XLogP0.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1,1,2,2,3,3-hexafluorobutylsulfonylmethyl)adamantane
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1-ethyl-1-(methylsulfonylmethyl)cyclopropane
CID 123657531
7-(methylsulfonylmethyl)bicyclo[4.1.0]heptan-7-ol
CID 79331786
1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride
CID 119031417
N-[2-(1-adamantyl)ethyl]-1-chloromethanesulfonamide
CID 55244293
1-bicyclo[3.2.1]octanylmethanesulfonic acid
CID 123397276
1,3,5-triethyladamantane
CID 21415733
2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde
CID 131010906
1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine
CID 84690014

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane?
The IUPAC name of 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane (CID 174156092) is 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane is CS(=O)(=O)CC12CC(C1)C2.
What is the InChIKey of 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane?
The InChIKey is PHMBGSREUMLHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-10(8,9)5-7-2-6(3-7)4-7/h6H,2-5H2,1H3.
What are the key properties of 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane?
1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane has a molecular weight of 160.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 174156092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).