2-ethenylsulfonyladamantane

C12H18O2S — CID 23539964

IUPAC2-ethenylsulfonyladamantane
SMILESC=CS(=O)(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18O2S/c1-2-15(13,14)12-10-4-8-3-9(6-10)7-11(12)5-8/h2,8-12H,1,3-7H2
InChIKeyGKMFLRYAAQMAPU-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.37
Rot. Bonds2

About 2-ethenylsulfonyladamantane

2-ethenylsulfonyladamantane (PubChem CID 23539964) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-ethenylsulfonyladamantane.

Molecular Properties

Compound Name2-ethenylsulfonyladamantane
PubChem CID23539964
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name2-ethenylsulfonyladamantane
SMILESC=CS(=O)(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18O2S/c1-2-15(13,14)12-10-4-8-3-9(6-10)7-11(12)5-8/h2,8-12H,1,3-7H2
InChIKeyGKMFLRYAAQMAPU-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylsulfonyl)adamantane
CID 23539962
2-(Methylsulfinyl)adamantane
CID 14433882
1-Adamantyl-ethenyl-dihydroxy-oxo-lambda6-sulfane
CID 58840382
1-Prop-2-enylsulfonyladamantane
CID 12794402
2-(2-Adamantylsulfanyl)ethanesulfonyl chloride
CID 84090946
(E)-3-(2-adamantylsulfonyl)prop-2-enenitrile
CID 84092644

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyladamantane?
The IUPAC name of 2-ethenylsulfonyladamantane (CID 23539964) is 2-ethenylsulfonyladamantane.
What is the SMILES notation for 2-ethenylsulfonyladamantane?
The canonical SMILES for 2-ethenylsulfonyladamantane is C=CS(=O)(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethenylsulfonyladamantane?
The InChIKey is GKMFLRYAAQMAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-2-15(13,14)12-10-4-8-3-9(6-10)7-11(12)5-8/h2,8-12H,1,3-7H2.
What are the key properties of 2-ethenylsulfonyladamantane?
2-ethenylsulfonyladamantane has a molecular weight of 226.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyladamantane is sourced from PubChem (CID 23539964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).