2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

C16H22FNOS2 — CID 79910819

IUPAC2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(CSc1ccccc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22FNOS2/c17-13-3-1-2-4-15(13)21-10-14(18)12-5-7-19-16(9-12)6-8-20-11-16/h1-4,12,14H,5-11,18H2
InChIKeyTUVFDVKPGOGXKK-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.55
Rot. Bonds4

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

2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79910819) has the molecular formula C16H22FNOS2 and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79910819
Molecular FormulaC16H22FNOS2
Molecular Weight327.49 g/mol
Exact Mass327.11
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(CSc1ccccc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22FNOS2/c17-13-3-1-2-4-15(13)21-10-14(18)12-5-7-19-16(9-12)6-8-20-11-16/h1-4,12,14H,5-11,18H2
InChIKeyTUVFDVKPGOGXKK-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66051724
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
2-(4-Fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070560
1-(3-Fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66071070
2-(3-Fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66071884
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (CID 79910819) is 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is NC(CSc1ccccc1F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is TUVFDVKPGOGXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS2/c17-13-3-1-2-4-15(13)21-10-14(18)12-5-7-19-16(9-12)6-8-20-11-16/h1-4,12,14H,5-11,18H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 327.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79910819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).