1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine

C13H21N3O2S2 — CID 80634904

IUPAC1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCSCC2S(C)(=O)=O)nc1
InChIInChI=1S/C13H21N3O2S2/c1-10(14)7-11-3-4-12(15-8-11)16-5-6-19-9-13(16)20(2,17)18/h3-4,8,10,13H,5-7,9,14H2,1-2H3
InChIKeySLZTXEZQOBJYTL-UHFFFAOYSA-N
MW315.46 g/mol
LogP0.90
Rot. Bonds4

About 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine

1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine (PubChem CID 80634904) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine
PubChem CID80634904
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCSCC2S(C)(=O)=O)nc1
InChIInChI=1S/C13H21N3O2S2/c1-10(14)7-11-3-4-12(15-8-11)16-5-6-19-9-13(16)20(2,17)18/h3-4,8,10,13H,5-7,9,14H2,1-2H3
InChIKeySLZTXEZQOBJYTL-UHFFFAOYSA-N
XLogP0.90
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 66384202
1-[4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861896
1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66384579
2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 66382975
4-(6-bromo-2-pyridinyl)-3-methylsulfonylthiomorpholine
CID 66383475
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
N-[[4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 66382807
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 66382058
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 66383798
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
CID 66383257
1-[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66382401
5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79773868

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine (CID 80634904) is 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine is CC(N)Cc1ccc(N2CCSCC2S(C)(=O)=O)nc1.
What is the InChIKey of 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine?
The InChIKey is SLZTXEZQOBJYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-10(14)7-11-3-4-12(15-8-11)16-5-6-19-9-13(16)20(2,17)18/h3-4,8,10,13H,5-7,9,14H2,1-2H3.
What are the key properties of 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine?
1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine has a molecular weight of 315.46 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80634904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).