N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine

C11H17N3S — CID 75418663

IUPACN-cyclopentyl-6-ethylsulfanylpyrazin-2-amine
SMILESCCSc1cncc(NC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c1-2-15-11-8-12-7-10(14-11)13-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeySWAYLCHEYMGQDE-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.94
Rot. Bonds4

About N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine

N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine (PubChem CID 75418663) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-ethylsulfanylpyrazin-2-amine
PubChem CID75418663
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-cyclopentyl-6-ethylsulfanylpyrazin-2-amine
SMILESCCSc1cncc(NC2CCCC2)n1
InChIInChI=1S/C11H17N3S/c1-2-15-11-8-12-7-10(14-11)13-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeySWAYLCHEYMGQDE-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine?
The IUPAC name of N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine (CID 75418663) is N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine.
What is the SMILES notation for N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine?
The canonical SMILES for N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine is CCSc1cncc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine?
The InChIKey is SWAYLCHEYMGQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-15-11-8-12-7-10(14-11)13-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine?
N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine has a molecular weight of 223.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine is sourced from PubChem (CID 75418663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).