1-methylsulfonyladamantane

C11H18O2S — CID 14025939

IUPAC1-methylsulfonyladamantane
SMILESCS(=O)(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18O2S/c1-14(12,13)11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChIKeyLENRGFSIFFRCQR-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.00
Rot. Bonds1

About 1-methylsulfonyladamantane

1-methylsulfonyladamantane (PubChem CID 14025939) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-methylsulfonyladamantane.

Molecular Properties

Compound Name1-methylsulfonyladamantane
PubChem CID14025939
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name1-methylsulfonyladamantane
SMILESCS(=O)(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18O2S/c1-14(12,13)11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChIKeyLENRGFSIFFRCQR-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyladamantane?
The IUPAC name of 1-methylsulfonyladamantane (CID 14025939) is 1-methylsulfonyladamantane.
What is the SMILES notation for 1-methylsulfonyladamantane?
The canonical SMILES for 1-methylsulfonyladamantane is CS(=O)(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-methylsulfonyladamantane?
The InChIKey is LENRGFSIFFRCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-14(12,13)11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3.
What are the key properties of 1-methylsulfonyladamantane?
1-methylsulfonyladamantane has a molecular weight of 214.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyladamantane is sourced from PubChem (CID 14025939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).