2-methylsulfinyladamantane

C11H18OS — CID 14433882

IUPAC2-methylsulfinyladamantane
SMILESCS(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18OS/c1-13(12)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3
InChIKeyOBYCLZXLSJHRHD-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.19
Rot. Bonds1

About 2-methylsulfinyladamantane

2-methylsulfinyladamantane (PubChem CID 14433882) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methylsulfinyladamantane.

Molecular Properties

Compound Name2-methylsulfinyladamantane
PubChem CID14433882
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-methylsulfinyladamantane
SMILESCS(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18OS/c1-13(12)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3
InChIKeyOBYCLZXLSJHRHD-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Methylthio)adamantane
CID 12386069
Methyl 2-(1-adamantylsulfinyl)ethanedithioate
CID 100979297
2-(Methylsulfonyl)adamantane
CID 23539962
1-Methylsulfinyladamantane
CID 58341636
1-Butylsulfinyladamantane
CID 85861930
(3R,5S)-1-butylsulfinyl-3,5-dimethyladamantane
CID 134927825
2-(Adamantan-1-yl)-5-methyl-1,3-oxothiolane
CID 156612539
2-Butylsulfanyladamantane
CID 101801095
1-Ethylsulfonyladamantane
CID 12168453
1-Methylsulfonyladamantane
CID 14025939
2-Ethenylsulfonyladamantane
CID 23539964
1-[[4-[(4-Cyclohexylsulfinylcyclohexyl)methyl]cyclohexyl]methyl]-4-methylcyclohexane
CID 57764749

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyladamantane?
The IUPAC name of 2-methylsulfinyladamantane (CID 14433882) is 2-methylsulfinyladamantane.
What is the SMILES notation for 2-methylsulfinyladamantane?
The canonical SMILES for 2-methylsulfinyladamantane is CS(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-methylsulfinyladamantane?
The InChIKey is OBYCLZXLSJHRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-13(12)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-methylsulfinyladamantane?
2-methylsulfinyladamantane has a molecular weight of 198.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyladamantane is sourced from PubChem (CID 14433882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).