1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine

C15H24N2O2S2 — CID 66382331

IUPAC1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C(c1ccccc1)C(C)N
InChIInChI=1S/C15H24N2O2S2/c1-3-21(18,19)14-11-20-10-9-17(14)15(12(2)16)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,16H2,1-2H3
InChIKeyWAUZTIHLZANECR-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.88
Rot. Bonds5

About 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine

1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine (PubChem CID 66382331) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
PubChem CID66382331
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C(c1ccccc1)C(C)N
InChIInChI=1S/C15H24N2O2S2/c1-3-21(18,19)14-11-20-10-9-17(14)15(12(2)16)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,16H2,1-2H3
InChIKeyWAUZTIHLZANECR-UHFFFAOYSA-N
XLogP1.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine?
The IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine (CID 66382331) is 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine?
The canonical SMILES for 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine is CCS(=O)(=O)C1CSCCN1C(c1ccccc1)C(C)N.
What is the InChIKey of 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine?
The InChIKey is WAUZTIHLZANECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-21(18,19)14-11-20-10-9-17(14)15(12(2)16)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,16H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine?
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine has a molecular weight of 328.50 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine is sourced from PubChem (CID 66382331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).