1-methyl-3-methylsulfanyladamantane

C12H20S — CID 170151497

IUPAC1-methyl-3-methylsulfanyladamantane
SMILESCSC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C12H20S/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-2/h9-10H,3-8H2,1-2H3
InChIKeyGJPQLQGKIKRSET-UHFFFAOYSA-N
MW196.36 g/mol
LogP3.71
Rot. Bonds1

About 1-methyl-3-methylsulfanyladamantane

1-methyl-3-methylsulfanyladamantane (PubChem CID 170151497) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanyladamantane.

Molecular Properties

Compound Name1-methyl-3-methylsulfanyladamantane
PubChem CID170151497
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name1-methyl-3-methylsulfanyladamantane
SMILESCSC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C12H20S/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-2/h9-10H,3-8H2,1-2H3
InChIKeyGJPQLQGKIKRSET-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanyladamantane?
The IUPAC name of 1-methyl-3-methylsulfanyladamantane (CID 170151497) is 1-methyl-3-methylsulfanyladamantane.
What is the SMILES notation for 1-methyl-3-methylsulfanyladamantane?
The canonical SMILES for 1-methyl-3-methylsulfanyladamantane is CSC12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-methyl-3-methylsulfanyladamantane?
The InChIKey is GJPQLQGKIKRSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanyladamantane?
1-methyl-3-methylsulfanyladamantane has a molecular weight of 196.36 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanyladamantane is sourced from PubChem (CID 170151497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).