(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine

C14H22N2O2S2 — CID 66376534

IUPAC(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
SMILESCCS(=O)(=O)C1CSCCN1c1ccccc1[C@@H](C)N
InChIInChI=1S/C14H22N2O2S2/c1-3-20(17,18)14-10-19-9-8-16(14)13-7-5-4-6-12(13)11(2)15/h4-7,11,14H,3,8-10,15H2,1-2H3/t11-,14?/m1/s1
InChIKeyDXRJGTOHOAOBHO-YNODCEANSA-N
MW314.48 g/mol
LogP2.02
Rot. Bonds4

About (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine

(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine (PubChem CID 66376534) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
PubChem CID66376534
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
SMILESCCS(=O)(=O)C1CSCCN1c1ccccc1[C@@H](C)N
InChIInChI=1S/C14H22N2O2S2/c1-3-20(17,18)14-10-19-9-8-16(14)13-7-5-4-6-12(13)11(2)15/h4-7,11,14H,3,8-10,15H2,1-2H3/t11-,14?/m1/s1
InChIKeyDXRJGTOHOAOBHO-YNODCEANSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66382401
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
CID 66376147
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
CID 66382331
(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
CID 79035720
2-bromo-6-(3-ethylsulfonylthiomorpholin-4-yl)benzonitrile
CID 114881163
[5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 114889729
[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66372294
(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine
CID 113358838
(1S)-1-[2-fluoro-6-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66383947
1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine
CID 66382944

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine (CID 66376534) is (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine is CCS(=O)(=O)C1CSCCN1c1ccccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine?
The InChIKey is DXRJGTOHOAOBHO-YNODCEANSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-3-20(17,18)14-10-19-9-8-16(14)13-7-5-4-6-12(13)11(2)15/h4-7,11,14H,3,8-10,15H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine?
(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine has a molecular weight of 314.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 66376534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).