1-(1-adamantyl)-2-phenylsulfanylethanamine

C18H25NS — CID 64619212

IUPAC1-(1-adamantyl)-2-phenylsulfanylethanamine
SMILESNC(CSc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NS/c19-17(12-20-16-4-2-1-3-5-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,17H,6-12,19H2
InChIKeyGUNAEMGROQBBIK-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.32
Rot. Bonds4

About 1-(1-adamantyl)-2-phenylsulfanylethanamine

1-(1-adamantyl)-2-phenylsulfanylethanamine (PubChem CID 64619212) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-phenylsulfanylethanamine
PubChem CID64619212
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-(1-adamantyl)-2-phenylsulfanylethanamine
SMILESNC(CSc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NS/c19-17(12-20-16-4-2-1-3-5-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,17H,6-12,19H2
InChIKeyGUNAEMGROQBBIK-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-2-phenylethanamine
CID 63416547
1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927993
[1-adamantyl(phenyl)methyl]hydrazine
CID 105214386
1-(1-adamantyl)-2-cyclohexylsulfanylethanamine
CID 64633830
1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332291
1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol
CID 146037742
1-phenylsulfanylbutan-2-amine
CID 24973194
1-(1,3-diphenylprop-2-ynyl)adamantane
CID 175895400
(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol
CID 54276659
(2R)-1-phenylsulfanylbut-3-en-2-amine
CID 58800081
(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-phenylsulfanylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-phenylsulfanylethanamine (CID 64619212) is 1-(1-adamantyl)-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-phenylsulfanylethanamine is NC(CSc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-phenylsulfanylethanamine?
The InChIKey is GUNAEMGROQBBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c19-17(12-20-16-4-2-1-3-5-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,17H,6-12,19H2.
What are the key properties of 1-(1-adamantyl)-2-phenylsulfanylethanamine?
1-(1-adamantyl)-2-phenylsulfanylethanamine has a molecular weight of 287.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 64619212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).