2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C17H24FNOS — CID 79910823

IUPAC2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(CSc1cccc(F)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24FNOS/c18-14-4-3-5-15(10-14)21-12-16(19)13-6-9-20-17(11-13)7-1-2-8-17/h3-5,10,13,16H,1-2,6-9,11-12,19H2
InChIKeyRJOIWXSTNISUOG-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79910823) has the molecular formula C17H24FNOS and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79910823
Molecular FormulaC17H24FNOS
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(CSc1cccc(F)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24FNOS/c18-14-4-3-5-15(10-14)21-12-16(19)13-6-9-20-17(11-13)7-1-2-8-17/h3-5,10,13,16H,1-2,6-9,11-12,19H2
InChIKeyRJOIWXSTNISUOG-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Fluoro-3-[4-(oxan-4-ylmethylsulfanyl)phenyl]propan-2-amine
CID 129313548
1-(2-Fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
CID 66051725
2-(2-Fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
CID 66053651
1-(2-Fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66053848
1-(4-Fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
CID 66070151
2-(3-Fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
CID 66070237
1-(3-Fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66071070
1-(3-Fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
CID 66072514
2-(4-Fluorophenyl)sulfanyl-1-(oxan-4-yl)ethanamine
CID 66072627
1-(4-Fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66072631
(3,4-Difluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79907204
2-(4-Fluorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79907213

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 79910823) is 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is NC(CSc1cccc(F)c1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is RJOIWXSTNISUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNOS/c18-14-4-3-5-15(10-14)21-12-16(19)13-6-9-20-17(11-13)7-1-2-8-17/h3-5,10,13,16H,1-2,6-9,11-12,19H2.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 309.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79910823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).