3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine

C12H19N3O2S — CID 82487990

IUPAC3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCc1cc(S(=O)(=O)N2CCC(C)CC2)cnc1N
InChIInChI=1S/C12H19N3O2S/c1-9-3-5-15(6-4-9)18(16,17)11-7-10(2)12(13)14-8-11/h7-9H,3-6H2,1-2H3,(H2,13,14)
InChIKeyRGTDWPIAJYHQGY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds2

About 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine

3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 82487990) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID82487990
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCc1cc(S(=O)(=O)N2CCC(C)CC2)cnc1N
InChIInChI=1S/C12H19N3O2S/c1-9-3-5-15(6-4-9)18(16,17)11-7-10(2)12(13)14-8-11/h7-9H,3-6H2,1-2H3,(H2,13,14)
InChIKeyRGTDWPIAJYHQGY-UHFFFAOYSA-N
XLogP1.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine (CID 82487990) is 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine is Cc1cc(S(=O)(=O)N2CCC(C)CC2)cnc1N.
What is the InChIKey of 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is RGTDWPIAJYHQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-3-5-15(6-4-9)18(16,17)11-7-10(2)12(13)14-8-11/h7-9H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 82487990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).