1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine

C16H23NOS — CID 79923080

IUPAC1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccc(SC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H23NOS/c1-12(17)13-3-5-14(6-4-13)19-15-7-10-18-16(11-15)8-2-9-16/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyYHYIVPIOUFONLZ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.90
Rot. Bonds3

About 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine

1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine (PubChem CID 79923080) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
PubChem CID79923080
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccc(SC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H23NOS/c1-12(17)13-3-5-14(6-4-13)19-15-7-10-18-16(11-15)8-2-9-16/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyYHYIVPIOUFONLZ-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)benzoic acid
CID 79904708
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)aniline
CID 79906285
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
N-ethyl-1-[3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
CID 79906727
2-methyl-3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)aniline
CID 79906014
4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol
CID 79911996
4-methyl-2-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)aniline
CID 79906154
3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)phenol
CID 104590105
5-methyl-2-(6-oxaspiro[4.5]decan-9-ylsulfanyl)aniline
CID 79905416
3-bromo-4-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)aniline
CID 82841899
(4-ethylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106848506

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine (CID 79923080) is 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine is CC(N)c1ccc(SC2CCOC3(CCC3)C2)cc1.
What is the InChIKey of 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine?
The InChIKey is YHYIVPIOUFONLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-12(17)13-3-5-14(6-4-13)19-15-7-10-18-16(11-15)8-2-9-16/h3-6,12,15H,2,7-11,17H2,1H3.
What are the key properties of 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine?
1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 79923080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).