N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

C16H22FNOS — CID 81379881

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC[C@@H](NC1CCOC2(CCSC2)C1)c1ccccc1F
InChIInChI=1S/C16H22FNOS/c1-12(14-4-2-3-5-15(14)17)18-13-6-8-19-16(10-13)7-9-20-11-16/h2-5,12-13,18H,6-11H2,1H3/t12-,13?,16?/m1/s1
InChIKeyFAURSWZBIHILNJ-VEAWUBTESA-N
MW295.42 g/mol
LogP3.53
Rot. Bonds3

About N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 81379881) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID81379881
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC[C@@H](NC1CCOC2(CCSC2)C1)c1ccccc1F
InChIInChI=1S/C16H22FNOS/c1-12(14-4-2-3-5-15(14)17)18-13-6-8-19-16(10-13)7-9-20-11-16/h2-5,12-13,18H,6-11H2,1H3/t12-,13?,16?/m1/s1
InChIKeyFAURSWZBIHILNJ-VEAWUBTESA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895880
N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765
N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81400625
N-(1-pyridin-2-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895334
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
N-(4-phenylbutan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79899295
(5R,9R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124739500
(5S,9R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124627004
N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894827
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
1-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-[(1S)-1-phenylethyl]urea
CID 98793521
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 81379881) is N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is C[C@@H](NC1CCOC2(CCSC2)C1)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is FAURSWZBIHILNJ-VEAWUBTESA-N. The full InChI is InChI=1S/C16H22FNOS/c1-12(14-4-2-3-5-15(14)17)18-13-6-8-19-16(10-13)7-9-20-11-16/h2-5,12-13,18H,6-11H2,1H3/t12-,13?,16?/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 295.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 81379881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).