[2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium

C14H24NOS+ — CID 23535009

IUPAC[2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium
SMILESC[S+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NOS/c1-17(2)9-13(16)15-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3/p+1
InChIKeyOLUIBZDQHDFSSP-UHFFFAOYSA-O
MW254.42 g/mol
LogP1.95
Rot. Bonds3

About [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium

[2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium (PubChem CID 23535009) has the molecular formula C14H24NOS+ and a molecular weight of 254.42 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium
PubChem CID23535009
Molecular FormulaC14H24NOS+
Molecular Weight254.42 g/mol
Exact Mass254.16
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium
SMILESC[S+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NOS/c1-17(2)9-13(16)15-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3/p+1
InChIKeyOLUIBZDQHDFSSP-UHFFFAOYSA-O
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium (CID 23535009) is [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium is C[S+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium?
The InChIKey is OLUIBZDQHDFSSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23NOS/c1-17(2)9-13(16)15-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3/p+1.
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium?
[2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium has a molecular weight of 254.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl]-dimethylsulfanium is sourced from PubChem (CID 23535009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).