6-methoxy-N-(thian-3-yl)pyridin-3-amine

C11H16N2OS — CID 62873047

IUPAC6-methoxy-N-(thian-3-yl)pyridin-3-amine
SMILESCOc1ccc(NC2CCCSC2)cn1
InChIInChI=1S/C11H16N2OS/c1-14-11-5-4-9(7-12-11)13-10-3-2-6-15-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3
InChIKeyTWFKFGFPKCQCAT-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.40
Rot. Bonds3

About 6-methoxy-N-(thian-3-yl)pyridin-3-amine

6-methoxy-N-(thian-3-yl)pyridin-3-amine (PubChem CID 62873047) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-methoxy-N-(thian-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-(thian-3-yl)pyridin-3-amine
PubChem CID62873047
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name6-methoxy-N-(thian-3-yl)pyridin-3-amine
SMILESCOc1ccc(NC2CCCSC2)cn1
InChIInChI=1S/C11H16N2OS/c1-14-11-5-4-9(7-12-11)13-10-3-2-6-15-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3
InChIKeyTWFKFGFPKCQCAT-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(thian-3-yl)pyridin-3-amine?
The IUPAC name of 6-methoxy-N-(thian-3-yl)pyridin-3-amine (CID 62873047) is 6-methoxy-N-(thian-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-(thian-3-yl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-(thian-3-yl)pyridin-3-amine is COc1ccc(NC2CCCSC2)cn1.
What is the InChIKey of 6-methoxy-N-(thian-3-yl)pyridin-3-amine?
The InChIKey is TWFKFGFPKCQCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-14-11-5-4-9(7-12-11)13-10-3-2-6-15-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3.
What are the key properties of 6-methoxy-N-(thian-3-yl)pyridin-3-amine?
6-methoxy-N-(thian-3-yl)pyridin-3-amine has a molecular weight of 224.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(thian-3-yl)pyridin-3-amine is sourced from PubChem (CID 62873047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).