2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine

C14H22N2OS — CID 63537724

IUPAC2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
SMILESCCOc1nc(SC2CCCC(C)C2)ccc1N
InChIInChI=1S/C14H22N2OS/c1-3-17-14-12(15)7-8-13(16-14)18-11-6-4-5-10(2)9-11/h7-8,10-11H,3-6,9,15H2,1-2H3
InChIKeyHWGFPFMBOOREOK-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.73
Rot. Bonds4

About 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine

2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine (PubChem CID 63537724) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
PubChem CID63537724
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
SMILESCCOc1nc(SC2CCCC(C)C2)ccc1N
InChIInChI=1S/C14H22N2OS/c1-3-17-14-12(15)7-8-13(16-14)18-11-6-4-5-10(2)9-11/h7-8,10-11H,3-6,9,15H2,1-2H3
InChIKeyHWGFPFMBOOREOK-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine?
The IUPAC name of 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine (CID 63537724) is 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine is CCOc1nc(SC2CCCC(C)C2)ccc1N.
What is the InChIKey of 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine?
The InChIKey is HWGFPFMBOOREOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-17-14-12(15)7-8-13(16-14)18-11-6-4-5-10(2)9-11/h7-8,10-11H,3-6,9,15H2,1-2H3.
What are the key properties of 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine?
2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine has a molecular weight of 266.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 63537724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).