2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine

C13H20N2O2S2 — CID 66383750

IUPAC2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine
SMILESCS(=O)(=O)C1CSCCN1CC(N)c1ccccc1
InChIInChI=1S/C13H20N2O2S2/c1-19(16,17)13-10-18-8-7-15(13)9-12(14)11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3
InChIKeyWENDYLFPUGBITM-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.11
Rot. Bonds4

About 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine

2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine (PubChem CID 66383750) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine
PubChem CID66383750
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine
SMILESCS(=O)(=O)C1CSCCN1CC(N)c1ccccc1
InChIInChI=1S/C13H20N2O2S2/c1-19(16,17)13-10-18-8-7-15(13)9-12(14)11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3
InChIKeyWENDYLFPUGBITM-UHFFFAOYSA-N
XLogP1.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine?
The IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine (CID 66383750) is 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine?
The canonical SMILES for 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine is CS(=O)(=O)C1CSCCN1CC(N)c1ccccc1.
What is the InChIKey of 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine?
The InChIKey is WENDYLFPUGBITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-19(16,17)13-10-18-8-7-15(13)9-12(14)11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3.
What are the key properties of 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine?
2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine has a molecular weight of 300.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine is sourced from PubChem (CID 66383750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).