6-ethoxy-N-(thietan-3-yl)pyridin-2-amine

C10H14N2OS — CID 130659099

IUPAC6-ethoxy-N-(thietan-3-yl)pyridin-2-amine
SMILESCCOc1cccc(NC2CSC2)n1
InChIInChI=1S/C10H14N2OS/c1-2-13-10-5-3-4-9(12-10)11-8-6-14-7-8/h3-5,8H,2,6-7H2,1H3,(H,11,12)
InChIKeyLXPJTUABILFIHR-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.01
Rot. Bonds4

About 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine

6-ethoxy-N-(thietan-3-yl)pyridin-2-amine (PubChem CID 130659099) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(thietan-3-yl)pyridin-2-amine
PubChem CID130659099
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-ethoxy-N-(thietan-3-yl)pyridin-2-amine
SMILESCCOc1cccc(NC2CSC2)n1
InChIInChI=1S/C10H14N2OS/c1-2-13-10-5-3-4-9(12-10)11-8-6-14-7-8/h3-5,8H,2,6-7H2,1H3,(H,11,12)
InChIKeyLXPJTUABILFIHR-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine (CID 130659099) is 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine is CCOc1cccc(NC2CSC2)n1.
What is the InChIKey of 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine?
The InChIKey is LXPJTUABILFIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-13-10-5-3-4-9(12-10)11-8-6-14-7-8/h3-5,8H,2,6-7H2,1H3,(H,11,12).
What are the key properties of 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine?
6-ethoxy-N-(thietan-3-yl)pyridin-2-amine has a molecular weight of 210.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(thietan-3-yl)pyridin-2-amine is sourced from PubChem (CID 130659099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).