2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine

C13H21N3O2S2 — CID 66382265

IUPAC2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCS(=O)(=O)C1CSCCN1CCNCc1cccnc1
InChIInChI=1S/C13H21N3O2S2/c1-20(17,18)13-11-19-8-7-16(13)6-5-15-10-12-3-2-4-14-9-12/h2-4,9,13,15H,5-8,10-11H2,1H3
InChIKeyBIOFJRIQZRRPBD-UHFFFAOYSA-N
MW315.46 g/mol
LogP0.59
Rot. Bonds6

About 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 66382265) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID66382265
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCS(=O)(=O)C1CSCCN1CCNCc1cccnc1
InChIInChI=1S/C13H21N3O2S2/c1-20(17,18)13-11-19-8-7-16(13)6-5-15-10-12-3-2-4-14-9-12/h2-4,9,13,15H,5-8,10-11H2,1H3
InChIKeyBIOFJRIQZRRPBD-UHFFFAOYSA-N
XLogP0.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine
CID 81247525
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 66384379
N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
CID 66383594
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 79920744
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
2-propan-2-ylsulfonyl-N-(pyridin-3-ylmethyl)ethanamine
CID 106513112
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
CID 103595725
3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
CID 131052532

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 66382265) is 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine is CS(=O)(=O)C1CSCCN1CCNCc1cccnc1.
What is the InChIKey of 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is BIOFJRIQZRRPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-20(17,18)13-11-19-8-7-16(13)6-5-15-10-12-3-2-4-14-9-12/h2-4,9,13,15H,5-8,10-11H2,1H3.
What are the key properties of 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 315.46 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 66382265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).