4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine

C12H13N3OS — CID 102878475

IUPAC4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine
SMILESCc1cncc(CS(=O)c2ccncc2N)c1
InChIInChI=1S/C12H13N3OS/c1-9-4-10(6-15-5-9)8-17(16)12-2-3-14-7-11(12)13/h2-7H,8,13H2,1H3
InChIKeyKWYRZWKARUNCCL-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.68
Rot. Bonds3

About 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine

4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine (PubChem CID 102878475) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine
PubChem CID102878475
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine
SMILESCc1cncc(CS(=O)c2ccncc2N)c1
InChIInChI=1S/C12H13N3OS/c1-9-4-10(6-15-5-9)8-17(16)12-2-3-14-7-11(12)13/h2-7H,8,13H2,1H3
InChIKeyKWYRZWKARUNCCL-UHFFFAOYSA-N
XLogP1.68
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine (CID 102878475) is 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine is Cc1cncc(CS(=O)c2ccncc2N)c1.
What is the InChIKey of 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine?
The InChIKey is KWYRZWKARUNCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-4-10(6-15-5-9)8-17(16)12-2-3-14-7-11(12)13/h2-7H,8,13H2,1H3.
What are the key properties of 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine?
4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine has a molecular weight of 247.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 102878475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).