4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine

C11H16N2OS — CID 63329562

IUPAC4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine
SMILESCc1ccncc1NC1CCS(=O)CC1
InChIInChI=1S/C11H16N2OS/c1-9-2-5-12-8-11(9)13-10-3-6-15(14)7-4-10/h2,5,8,10,13H,3-4,6-7H2,1H3
InChIKeyWVKIPJGMVZRPKS-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.71
Rot. Bonds2

About 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine

4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine (PubChem CID 63329562) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine
PubChem CID63329562
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine
SMILESCc1ccncc1NC1CCS(=O)CC1
InChIInChI=1S/C11H16N2OS/c1-9-2-5-12-8-11(9)13-10-3-6-15(14)7-4-10/h2,5,8,10,13H,3-4,6-7H2,1H3
InChIKeyWVKIPJGMVZRPKS-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine?
The IUPAC name of 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine (CID 63329562) is 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine?
The canonical SMILES for 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine is Cc1ccncc1NC1CCS(=O)CC1.
What is the InChIKey of 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine?
The InChIKey is WVKIPJGMVZRPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-2-5-12-8-11(9)13-10-3-6-15(14)7-4-10/h2,5,8,10,13H,3-4,6-7H2,1H3.
What are the key properties of 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine?
4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine has a molecular weight of 224.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine is sourced from PubChem (CID 63329562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).