2-methylsulfonyladamantane

C11H18O2S — CID 23539962

IUPAC2-methylsulfonyladamantane
SMILESCS(=O)(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18O2S/c1-14(12,13)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3
InChIKeyIIEUCLSMUXZHAW-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.86
Rot. Bonds1

About 2-methylsulfonyladamantane

2-methylsulfonyladamantane (PubChem CID 23539962) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methylsulfonyladamantane.

Molecular Properties

Compound Name2-methylsulfonyladamantane
PubChem CID23539962
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-methylsulfonyladamantane
SMILESCS(=O)(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18O2S/c1-14(12,13)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3
InChIKeyIIEUCLSMUXZHAW-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylthio)adamantane
CID 12386069
1-Methylsulfinyladamantane
CID 58341636
Adamantane-2-sulfonyl fluoride
CID 139363297
(Methylsulfanyl)(tricyclo[3.3.1.1~3,7~]decane-1-sulfonyl)methanethione
CID 322048
2-(Methylsulfinyl)adamantane
CID 14433882
1-Butylsulfinyladamantane
CID 85861930
1-(2-Fluoro-2-methylsulfonylpropyl)adamantane
CID 159924525
1-(2-Ethylsulfonyl-2-fluoropropyl)adamantane
CID 161159173
1-Ethylsulfonyladamantane
CID 12168453
1-Methylsulfonyladamantane
CID 14025939
Adamantane-2-sulfonic acid
CID 20474340
2-Ethenylsulfonyladamantane
CID 23539964

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyladamantane?
The IUPAC name of 2-methylsulfonyladamantane (CID 23539962) is 2-methylsulfonyladamantane.
What is the SMILES notation for 2-methylsulfonyladamantane?
The canonical SMILES for 2-methylsulfonyladamantane is CS(=O)(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-methylsulfonyladamantane?
The InChIKey is IIEUCLSMUXZHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-14(12,13)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3.
What are the key properties of 2-methylsulfonyladamantane?
2-methylsulfonyladamantane has a molecular weight of 214.33 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyladamantane is sourced from PubChem (CID 23539962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).