1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine

C15H25NOS — CID 79332291

IUPAC1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESNC(CSC1COC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NOS/c16-14(9-18-13-7-17-8-13)15-4-10-1-11(5-15)3-12(2-10)6-15/h10-14H,1-9,16H2
InChIKeyUNCCFLBKCVXXID-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.66
Rot. Bonds4

About 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine

1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine (PubChem CID 79332291) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine
PubChem CID79332291
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESNC(CSC1COC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NOS/c16-14(9-18-13-7-17-8-13)15-4-10-1-11(5-15)3-12(2-10)6-15/h10-14H,1-9,16H2
InChIKeyUNCCFLBKCVXXID-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine (CID 79332291) is 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine is NC(CSC1COC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The InChIKey is UNCCFLBKCVXXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c16-14(9-18-13-7-17-8-13)15-4-10-1-11(5-15)3-12(2-10)6-15/h10-14H,1-9,16H2.
What are the key properties of 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine?
1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 79332291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).