2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine

C14H23N3O2S2 — CID 104822366

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCCS(=O)(=O)C1CSCCN1C(CN)c1ccc(C)nc1
InChIInChI=1S/C14H23N3O2S2/c1-3-21(18,19)14-10-20-7-6-17(14)13(8-15)12-5-4-11(2)16-9-12/h4-5,9,13-14H,3,6-8,10,15H2,1-2H3
InChIKeyCPZFTXUSNHETNS-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.20
Rot. Bonds5

About 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine

2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 104822366) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
PubChem CID104822366
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCCS(=O)(=O)C1CSCCN1C(CN)c1ccc(C)nc1
InChIInChI=1S/C14H23N3O2S2/c1-3-21(18,19)14-10-20-7-6-17(14)13(8-15)12-5-4-11(2)16-9-12/h4-5,9,13-14H,3,6-8,10,15H2,1-2H3
InChIKeyCPZFTXUSNHETNS-UHFFFAOYSA-N
XLogP1.20
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine (CID 104822366) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine is CCS(=O)(=O)C1CSCCN1C(CN)c1ccc(C)nc1.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is CPZFTXUSNHETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-21(18,19)14-10-20-7-6-17(14)13(8-15)12-5-4-11(2)16-9-12/h4-5,9,13-14H,3,6-8,10,15H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 329.49 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 104822366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).