1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine

C14H21FN2O2S2 — CID 66376147

IUPAC1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
SMILESCCS(=O)(=O)C1CSCCN1c1cccc(F)c1C(C)N
InChIInChI=1S/C14H21FN2O2S2/c1-3-21(18,19)13-9-20-8-7-17(13)12-6-4-5-11(15)14(12)10(2)16/h4-6,10,13H,3,7-9,16H2,1-2H3
InChIKeyTZZPXESRANPOTI-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine

1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine (PubChem CID 66376147) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
PubChem CID66376147
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC Name1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
SMILESCCS(=O)(=O)C1CSCCN1c1cccc(F)c1C(C)N
InChIInChI=1S/C14H21FN2O2S2/c1-3-21(18,19)13-9-20-8-7-17(13)12-6-4-5-11(15)14(12)10(2)16/h4-6,10,13H,3,7-9,16H2,1-2H3
InChIKeyTZZPXESRANPOTI-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
CID 79035720
(1S)-1-[2-fluoro-6-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66383947
(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66376534
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone
CID 66384669
2-bromo-6-(3-ethylsulfonylthiomorpholin-4-yl)benzonitrile
CID 114881163
1-[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66382401
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 66377518
2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluoro-4-methoxyaniline
CID 66382345
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712
(1S)-1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 78935058
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
CID 66382331

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine (CID 66376147) is 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine is CCS(=O)(=O)C1CSCCN1c1cccc(F)c1C(C)N.
What is the InChIKey of 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine?
The InChIKey is TZZPXESRANPOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-3-21(18,19)13-9-20-8-7-17(13)12-6-4-5-11(15)14(12)10(2)16/h4-6,10,13H,3,7-9,16H2,1-2H3.
What are the key properties of 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine?
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine has a molecular weight of 332.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 66376147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).