6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine

C14H22N2OS — CID 114123738

IUPAC6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine
SMILESCCOc1cccc(NC2CCCC(SC)C2)n1
InChIInChI=1S/C14H22N2OS/c1-3-17-14-9-5-8-13(16-14)15-11-6-4-7-12(10-11)18-2/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,15,16)
InChIKeyQCBKLINRDVIKLE-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.57
Rot. Bonds5

About 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine

6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine (PubChem CID 114123738) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine
PubChem CID114123738
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine
SMILESCCOc1cccc(NC2CCCC(SC)C2)n1
InChIInChI=1S/C14H22N2OS/c1-3-17-14-9-5-8-13(16-14)15-11-6-4-7-12(10-11)18-2/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,15,16)
InChIKeyQCBKLINRDVIKLE-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine (CID 114123738) is 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine is CCOc1cccc(NC2CCCC(SC)C2)n1.
What is the InChIKey of 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine?
The InChIKey is QCBKLINRDVIKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-17-14-9-5-8-13(16-14)15-11-6-4-7-12(10-11)18-2/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,15,16).
What are the key properties of 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine?
6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine has a molecular weight of 266.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 114123738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).