(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine

C12H17FN2OS — CID 63368739

IUPAC(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1N1CCS(=O)CC1
InChIInChI=1S/C12H17FN2OS/c1-9(14)11-8-10(13)2-3-12(11)15-4-6-17(16)7-5-15/h2-3,8-9H,4-7,14H2,1H3/t9-/m1/s1
InChIKeyOHBWRBTXDHQLDI-SECBINFHSA-N
MW256.35 g/mol
LogP1.41
Rot. Bonds2

About (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine

(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine (PubChem CID 63368739) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
PubChem CID63368739
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1N1CCS(=O)CC1
InChIInChI=1S/C12H17FN2OS/c1-9(14)11-8-10(13)2-3-12(11)15-4-6-17(16)7-5-15/h2-3,8-9H,4-7,14H2,1H3/t9-/m1/s1
InChIKeyOHBWRBTXDHQLDI-SECBINFHSA-N
XLogP1.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 63368809
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile
CID 63667343
1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 54976767
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
CID 175174279
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107223420

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine (CID 63368739) is (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine is C[C@@H](N)c1cc(F)ccc1N1CCS(=O)CC1.
What is the InChIKey of (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine?
The InChIKey is OHBWRBTXDHQLDI-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-9(14)11-8-10(13)2-3-12(11)15-4-6-17(16)7-5-15/h2-3,8-9H,4-7,14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine?
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine is sourced from PubChem (CID 63368739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).