6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine

C11H17N3OS — CID 133374942

IUPAC6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine
SMILESCCOc1cncc(NCC2CCCS2)n1
InChIInChI=1S/C11H17N3OS/c1-2-15-11-8-12-7-10(14-11)13-6-9-4-3-5-16-9/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyPKIYJQJOAWCWKS-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds5

About 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine

6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine (PubChem CID 133374942) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine
PubChem CID133374942
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine
SMILESCCOc1cncc(NCC2CCCS2)n1
InChIInChI=1S/C11H17N3OS/c1-2-15-11-8-12-7-10(14-11)13-6-9-4-3-5-16-9/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyPKIYJQJOAWCWKS-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine (CID 133374942) is 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine is CCOc1cncc(NCC2CCCS2)n1.
What is the InChIKey of 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine?
The InChIKey is PKIYJQJOAWCWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-15-11-8-12-7-10(14-11)13-6-9-4-3-5-16-9/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine?
6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 133374942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).