6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine

C11H19N3S — CID 80894664

IUPAC6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(SCCN(C)C)n1
InChIInChI=1S/C11H19N3S/c1-4-12-10-6-5-7-11(13-10)15-9-8-14(2)3/h5-7H,4,8-9H2,1-3H3,(H,12,13)
InChIKeyIHMDJEOCJVDMJR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.17
Rot. Bonds6

About 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine

6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine (PubChem CID 80894664) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine
PubChem CID80894664
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(SCCN(C)C)n1
InChIInChI=1S/C11H19N3S/c1-4-12-10-6-5-7-11(13-10)15-9-8-14(2)3/h5-7H,4,8-9H2,1-3H3,(H,12,13)
InChIKeyIHMDJEOCJVDMJR-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine (CID 80894664) is 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine is CCNc1cccc(SCCN(C)C)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine?
The InChIKey is IHMDJEOCJVDMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-12-10-6-5-7-11(13-10)15-9-8-14(2)3/h5-7H,4,8-9H2,1-3H3,(H,12,13).
What are the key properties of 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine?
6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 80894664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).