N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine

C12H19N3O2S2 — CID 104535174

IUPACN-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
SMILESCCNc1cncc(N2CCSCC2S(C)(=O)=O)c1
InChIInChI=1S/C12H19N3O2S2/c1-3-14-10-6-11(8-13-7-10)15-4-5-18-9-12(15)19(2,16)17/h6-8,12,14H,3-5,9H2,1-2H3
InChIKeyWGDHWNWMCCJXSP-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.44
Rot. Bonds4

About N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine

N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine (PubChem CID 104535174) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
PubChem CID104535174
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
SMILESCCNc1cncc(N2CCSCC2S(C)(=O)=O)c1
InChIInChI=1S/C12H19N3O2S2/c1-3-14-10-6-11(8-13-7-10)15-4-5-18-9-12(15)19(2,16)17/h6-8,12,14H,3-5,9H2,1-2H3
InChIKeyWGDHWNWMCCJXSP-UHFFFAOYSA-N
XLogP1.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
CID 66383089
4-(2-chloro-4-pyridinyl)-3-methylsulfonylthiomorpholine
CID 102824290
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450933
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine
CID 102729180
1-[3,5-difluoro-4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 66383964
N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine
CID 81247525
N-[[4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 66382807
4-[3-(chloromethyl)-4-pyridinyl]-3-methylsulfonylthiomorpholine
CID 81233805
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66383428
4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
CID 79915838
[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80925707

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?
The IUPAC name of N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine (CID 104535174) is N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine.
What is the SMILES notation for N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?
The canonical SMILES for N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine is CCNc1cncc(N2CCSCC2S(C)(=O)=O)c1.
What is the InChIKey of N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?
The InChIKey is WGDHWNWMCCJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-3-14-10-6-11(8-13-7-10)15-4-5-18-9-12(15)19(2,16)17/h6-8,12,14H,3-5,9H2,1-2H3.
What are the key properties of N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?
N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine has a molecular weight of 301.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine is sourced from PubChem (CID 104535174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).