1-methylsulfanyladamantane

C11H18S — CID 12011607

IUPAC1-methylsulfanyladamantane
SMILESCSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18S/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChIKeyBFCCXHGAQCMNTH-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.32
Rot. Bonds1

About 1-methylsulfanyladamantane

1-methylsulfanyladamantane (PubChem CID 12011607) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 1-methylsulfanyladamantane.

Molecular Properties

Compound Name1-methylsulfanyladamantane
PubChem CID12011607
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name1-methylsulfanyladamantane
SMILESCSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18S/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3
InChIKeyBFCCXHGAQCMNTH-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyladamantane?
The IUPAC name of 1-methylsulfanyladamantane (CID 12011607) is 1-methylsulfanyladamantane.
What is the SMILES notation for 1-methylsulfanyladamantane?
The canonical SMILES for 1-methylsulfanyladamantane is CSC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-methylsulfanyladamantane?
The InChIKey is BFCCXHGAQCMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3.
What are the key properties of 1-methylsulfanyladamantane?
1-methylsulfanyladamantane has a molecular weight of 182.33 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyladamantane is sourced from PubChem (CID 12011607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).