2-(1-adamantyl)thiophene

C14H18S — CID 11138600

IUPAC2-(1-adamantyl)thiophene
SMILESc1csc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C14H18S/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2
InChIKeySCONECYBTLGEBF-UHFFFAOYSA-N
MW218.36 g/mol
LogP4.22
Rot. Bonds1

About 2-(1-adamantyl)thiophene

2-(1-adamantyl)thiophene (PubChem CID 11138600) has the molecular formula C14H18S and a molecular weight of 218.36 g/mol. Its IUPAC name is 2-(1-adamantyl)thiophene.

Molecular Properties

Compound Name2-(1-adamantyl)thiophene
PubChem CID11138600
Molecular FormulaC14H18S
Molecular Weight218.36 g/mol
Exact Mass218.11
IUPAC Name2-(1-adamantyl)thiophene
SMILESc1csc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C14H18S/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2
InChIKeySCONECYBTLGEBF-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)thiophene?
The IUPAC name of 2-(1-adamantyl)thiophene (CID 11138600) is 2-(1-adamantyl)thiophene.
What is the SMILES notation for 2-(1-adamantyl)thiophene?
The canonical SMILES for 2-(1-adamantyl)thiophene is c1csc(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)thiophene?
The InChIKey is SCONECYBTLGEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12H,4-9H2.
What are the key properties of 2-(1-adamantyl)thiophene?
2-(1-adamantyl)thiophene has a molecular weight of 218.36 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)thiophene is sourced from PubChem (CID 11138600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).