1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine

C16H23NOS — CID 79911685

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
SMILESNC(CSc1ccccc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H23NOS/c17-15(12-19-14-5-2-1-3-6-14)13-7-10-18-16(11-13)8-4-9-16/h1-3,5-6,13,15H,4,7-12,17H2
InChIKeyBYFUTEYGERLEOH-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.46
Rot. Bonds4

About 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine

1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine (PubChem CID 79911685) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
PubChem CID79911685
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
SMILESNC(CSc1ccccc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H23NOS/c17-15(12-19-14-5-2-1-3-6-14)13-7-10-18-16(11-13)8-4-9-16/h1-3,5-6,13,15H,4,7-12,17H2
InChIKeyBYFUTEYGERLEOH-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912214
2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79911439
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911507
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
(4-ethylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106848506
[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105238010
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
CID 79913678
1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine
CID 105170221

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine (CID 79911685) is 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine is NC(CSc1ccccc1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine?
The InChIKey is BYFUTEYGERLEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c17-15(12-19-14-5-2-1-3-6-14)13-7-10-18-16(11-13)8-4-9-16/h1-3,5-6,13,15H,4,7-12,17H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine?
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine has a molecular weight of 277.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 79911685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).