N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine

C14H23N3O2S2 — CID 66377729

IUPACN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CCSCC2S(=O)(=O)CC)c1
InChIInChI=1S/C14H23N3O2S2/c1-3-15-10-12-5-6-16-13(9-12)17-7-8-20-11-14(17)21(18,19)4-2/h5-6,9,14-15H,3-4,7-8,10-11H2,1-2H3
InChIKeyYWRYLPQLYQHXRQ-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.51
Rot. Bonds6

About N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine

N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 66377729) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID66377729
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC NameN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CCSCC2S(=O)(=O)CC)c1
InChIInChI=1S/C14H23N3O2S2/c1-3-15-10-12-5-6-16-13(9-12)17-7-8-20-11-14(17)21(18,19)4-2/h5-6,9,14-15H,3-4,7-8,10-11H2,1-2H3
InChIKeyYWRYLPQLYQHXRQ-UHFFFAOYSA-N
XLogP1.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.51
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-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 66377518
[2-(3-ethylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanol
CID 66376741
6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 66377758
[6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methanol
CID 80628626
[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]methanol
CID 66378089
4-(3-ethylsulfonylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
CID 80851203
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66377163
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 63619417
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine (CID 66377729) is N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(N2CCSCC2S(=O)(=O)CC)c1.
What is the InChIKey of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is YWRYLPQLYQHXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-15-10-12-5-6-16-13(9-12)17-7-8-20-11-14(17)21(18,19)4-2/h5-6,9,14-15H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine?
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 329.49 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 66377729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).