methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium

C16H21S+ — CID 147153536

IUPACmethyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium
SMILESC[S+](c1ccccc1)C12CC3CC(CC1C3)C2
InChIInChI=1S/C16H21S/c1-17(15-5-3-2-4-6-15)16-10-12-7-13(11-16)9-14(16)8-12/h2-6,12-14H,7-11H2,1H3/q+1
InChIKeyBULGQTPESVRBAB-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.87
Rot. Bonds2

About methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium

methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium (PubChem CID 147153536) has the molecular formula C16H21S+ and a molecular weight of 245.41 g/mol. Its IUPAC name is methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium.

Molecular Properties

Compound Namemethyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium
PubChem CID147153536
Molecular FormulaC16H21S+
Molecular Weight245.41 g/mol
Exact Mass245.14
IUPAC Namemethyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium
SMILESC[S+](c1ccccc1)C12CC3CC(CC1C3)C2
InChIInChI=1S/C16H21S/c1-17(15-5-3-2-4-6-15)16-10-12-7-13(11-16)9-14(16)8-12/h2-6,12-14H,7-11H2,1H3/q+1
InChIKeyBULGQTPESVRBAB-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.87
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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Related Compounds

1-adamantyl(diphenyl)sulfanium
CID 58937302
N-benzyl-2,2-dimethyladamantan-1-amine
CID 71452180
1-phenyl-2,2-bis(2-phenylethynyl)adamantane
CID 90848375
1-[1-adamantyl(phenyl)phosphoryl]adamantane
CID 151160531
bis(1-adamantyl)-benzylphosphane;palladium
CID 87886000
(1R)-1-(1-adamantyl)-1-phenylethanol
CID 7116226
[3-fluoro-4-[(2-methyl-2-adamantyl)oxy]phenyl]-diphenylsulfanium
CID 170523546
1-adamantyl benzoate
CID 2753105
N-(2-phenylpropan-2-yl)adamantan-1-amine
CID 102026641
2,2-bis(2-methylphenyl)adamantane
CID 173019574
1-adamantyl(benzhydryloxy)silane
CID 154199253
N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide
CID 40554657

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium?
The IUPAC name of methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium (CID 147153536) is methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium.
What is the SMILES notation for methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium?
The canonical SMILES for methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium is C[S+](c1ccccc1)C12CC3CC(CC1C3)C2.
What is the InChIKey of methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium?
The InChIKey is BULGQTPESVRBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21S/c1-17(15-5-3-2-4-6-15)16-10-12-7-13(11-16)9-14(16)8-12/h2-6,12-14H,7-11H2,1H3/q+1.
What are the key properties of methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium?
methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium has a molecular weight of 245.41 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium is sourced from PubChem (CID 147153536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).