2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

C16H22ClNOS — CID 79911439

IUPAC2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESNC(CSc1ccccc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H22ClNOS/c17-13-4-1-2-5-15(13)20-11-14(18)12-6-9-19-16(10-12)7-3-8-16/h1-2,4-5,12,14H,3,6-11,18H2
InChIKeyRJTZSBBGUHDIOT-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.11
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 79911439) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID79911439
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESNC(CSc1ccccc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H22ClNOS/c17-13-4-1-2-5-15(13)20-11-14(18)12-6-9-19-16(10-12)7-3-8-16/h1-2,4-5,12,14H,3,6-11,18H2
InChIKeyRJTZSBBGUHDIOT-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685
2-(4-bromophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912214
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679
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
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
[2-(2,6-dichlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105209863
2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79914830
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105238010
2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908675
(4-chloro-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 107994506

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (CID 79911439) is 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is NC(CSc1ccccc1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is RJTZSBBGUHDIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNOS/c17-13-4-1-2-5-15(13)20-11-14(18)12-6-9-19-16(10-12)7-3-8-16/h1-2,4-5,12,14H,3,6-11,18H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 311.88 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 79911439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).