(3,5-dimethyl-1-adamantyl)-dimethylsulfanium

C14H25S+ — CID 58085544

IUPAC(3,5-dimethyl-1-adamantyl)-dimethylsulfanium
SMILESC[S+](C)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H25S/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3/q+1
InChIKeySQXODWQXRPVARD-UHFFFAOYSA-N
MW225.42 g/mol
LogP3.61
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-dimethylsulfanium

(3,5-dimethyl-1-adamantyl)-dimethylsulfanium (PubChem CID 58085544) has the molecular formula C14H25S+ and a molecular weight of 225.42 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-dimethylsulfanium.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-dimethylsulfanium
PubChem CID58085544
Molecular FormulaC14H25S+
Molecular Weight225.42 g/mol
Exact Mass225.17
IUPAC Name(3,5-dimethyl-1-adamantyl)-dimethylsulfanium
SMILESC[S+](C)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H25S/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3/q+1
InChIKeySQXODWQXRPVARD-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-dimethylsulfanium?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-dimethylsulfanium (CID 58085544) is (3,5-dimethyl-1-adamantyl)-dimethylsulfanium.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-dimethylsulfanium?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-dimethylsulfanium is C[S+](C)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-dimethylsulfanium?
The InChIKey is SQXODWQXRPVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25S/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3/q+1.
What are the key properties of (3,5-dimethyl-1-adamantyl)-dimethylsulfanium?
(3,5-dimethyl-1-adamantyl)-dimethylsulfanium has a molecular weight of 225.42 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-dimethylsulfanium is sourced from PubChem (CID 58085544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).