1-tert-butylsulfanyladamantane

C14H24S — CID 59574772

IUPAC1-tert-butylsulfanyladamantane
SMILESCC(C)(C)SC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24S/c1-13(2,3)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,4-9H2,1-3H3
InChIKeyWBZOYJHPTNOCCO-UHFFFAOYSA-N
MW224.41 g/mol
LogP4.49
Rot. Bonds1

About 1-tert-butylsulfanyladamantane

1-tert-butylsulfanyladamantane (PubChem CID 59574772) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 1-tert-butylsulfanyladamantane.

Molecular Properties

Compound Name1-tert-butylsulfanyladamantane
PubChem CID59574772
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name1-tert-butylsulfanyladamantane
SMILESCC(C)(C)SC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24S/c1-13(2,3)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,4-9H2,1-3H3
InChIKeyWBZOYJHPTNOCCO-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyladamantane?
The IUPAC name of 1-tert-butylsulfanyladamantane (CID 59574772) is 1-tert-butylsulfanyladamantane.
What is the SMILES notation for 1-tert-butylsulfanyladamantane?
The canonical SMILES for 1-tert-butylsulfanyladamantane is CC(C)(C)SC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-tert-butylsulfanyladamantane?
The InChIKey is WBZOYJHPTNOCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-13(2,3)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-tert-butylsulfanyladamantane?
1-tert-butylsulfanyladamantane has a molecular weight of 224.41 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyladamantane is sourced from PubChem (CID 59574772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).