4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine

C13H21N3O2S2 — CID 66377913

IUPAC4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
SMILESCCS(=O)(=O)C1CSCCN1Cc1ccnc(NC)c1
InChIInChI=1S/C13H21N3O2S2/c1-3-20(17,18)13-10-19-7-6-16(13)9-11-4-5-15-12(8-11)14-2/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeySNGZEIAGJPXXRI-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.43
Rot. Bonds5

About 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine

4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 66377913) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
PubChem CID66377913
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
SMILESCCS(=O)(=O)C1CSCCN1Cc1ccnc(NC)c1
InChIInChI=1S/C13H21N3O2S2/c1-3-20(17,18)13-10-19-7-6-16(13)9-11-4-5-15-12(8-11)14-2/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeySNGZEIAGJPXXRI-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 66378491
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657565
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 66377729
4-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62464715
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80833716
1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 66377767
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471209
N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
CID 66383594
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylsulfonylthiomorpholine
CID 66378095
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
CID 80851203

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine (CID 66377913) is 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine is CCS(=O)(=O)C1CSCCN1Cc1ccnc(NC)c1.
What is the InChIKey of 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is SNGZEIAGJPXXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-3-20(17,18)13-10-19-7-6-16(13)9-11-4-5-15-12(8-11)14-2/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine?
4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 315.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 66377913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).