1-adamantyl-ethyl-prop-2-enylsulfanium

C15H25S+ — CID 134928542

IUPAC1-adamantyl-ethyl-prop-2-enylsulfanium
SMILESC=CC[S+](CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25S/c1-3-5-16(4-2)15-9-12-6-13(10-15)8-14(7-12)11-15/h3,12-14H,1,4-11H2,2H3/q+1
InChIKeySGHQPKQWBADIRX-UHFFFAOYSA-N
MW237.43 g/mol
LogP3.78
Rot. Bonds4

About 1-adamantyl-ethyl-prop-2-enylsulfanium

1-adamantyl-ethyl-prop-2-enylsulfanium (PubChem CID 134928542) has the molecular formula C15H25S+ and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-adamantyl-ethyl-prop-2-enylsulfanium.

Molecular Properties

Compound Name1-adamantyl-ethyl-prop-2-enylsulfanium
PubChem CID134928542
Molecular FormulaC15H25S+
Molecular Weight237.43 g/mol
Exact Mass237.17
IUPAC Name1-adamantyl-ethyl-prop-2-enylsulfanium
SMILESC=CC[S+](CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25S/c1-3-5-16(4-2)15-9-12-6-13(10-15)8-14(7-12)11-15/h3,12-14H,1,4-11H2,2H3/q+1
InChIKeySGHQPKQWBADIRX-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Adamantyl-ethyl-prop-2-enylsulfanium tetrafluoroborate
CID 134928541
1-(Butylsulfanyl)adamantane
CID 14942034
1-Ethylsulfanyladamantane
CID 89010401
1-(4-Methylpentylsulfanyl)adamantane
CID 173455636
1-Prop-2-enylsulfanyladamantane
CID 10703602
2-Prop-2-enylsulfanyladamantane
CID 12386086
1-Pentylsulfanyladamantane
CID 15370650
1-Propan-2-ylsulfanyladamantane
CID 102189493
1-Adamantyl-ethyl-methylsulfanium
CID 134928997
1-Prop-2-enylsulfinyladamantane
CID 166254118

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-ethyl-prop-2-enylsulfanium?
The IUPAC name of 1-adamantyl-ethyl-prop-2-enylsulfanium (CID 134928542) is 1-adamantyl-ethyl-prop-2-enylsulfanium.
What is the SMILES notation for 1-adamantyl-ethyl-prop-2-enylsulfanium?
The canonical SMILES for 1-adamantyl-ethyl-prop-2-enylsulfanium is C=CC[S+](CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-ethyl-prop-2-enylsulfanium?
The InChIKey is SGHQPKQWBADIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25S/c1-3-5-16(4-2)15-9-12-6-13(10-15)8-14(7-12)11-15/h3,12-14H,1,4-11H2,2H3/q+1.
What are the key properties of 1-adamantyl-ethyl-prop-2-enylsulfanium?
1-adamantyl-ethyl-prop-2-enylsulfanium has a molecular weight of 237.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-ethyl-prop-2-enylsulfanium is sourced from PubChem (CID 134928542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).