5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine

C13H21N3O2S2 — CID 66378491

IUPAC5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
SMILESCCS(=O)(=O)C1CSCCN1Cc1ccc(NC)nc1
InChIInChI=1S/C13H21N3O2S2/c1-3-20(17,18)13-10-19-7-6-16(13)9-11-4-5-12(14-2)15-8-11/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyOTCPZZARXUIIFJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.43
Rot. Bonds5

About 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine

5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 66378491) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
PubChem CID66378491
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
SMILESCCS(=O)(=O)C1CSCCN1Cc1ccc(NC)nc1
InChIInChI=1S/C13H21N3O2S2/c1-3-20(17,18)13-10-19-7-6-16(13)9-11-4-5-12(14-2)15-8-11/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyOTCPZZARXUIIFJ-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

4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 66377913
4-[(4-bromophenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378295
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
CID 66377959
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657565
[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol
CID 62208586
N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
CID 79230716
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80833716
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylsulfonylthiomorpholine
CID 66378095
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine (CID 66378491) is 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine is CCS(=O)(=O)C1CSCCN1Cc1ccc(NC)nc1.
What is the InChIKey of 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is OTCPZZARXUIIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-3-20(17,18)13-10-19-7-6-16(13)9-11-4-5-12(14-2)15-8-11/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine?
5-[(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 5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 66378491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).