6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine

C15H17N3S — CID 133389133

IUPAC6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine
SMILESc1ccc(CSc2cncc(NCC3CC3)n2)cc1
InChIInChI=1S/C15H17N3S/c1-2-4-13(5-3-1)11-19-15-10-16-9-14(18-15)17-8-12-6-7-12/h1-5,9-10,12H,6-8,11H2,(H,17,18)
InChIKeyFXOGLIYUXPGZDH-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.59
Rot. Bonds6

About 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine

6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine (PubChem CID 133389133) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine
PubChem CID133389133
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine
SMILESc1ccc(CSc2cncc(NCC3CC3)n2)cc1
InChIInChI=1S/C15H17N3S/c1-2-4-13(5-3-1)11-19-15-10-16-9-14(18-15)17-8-12-6-7-12/h1-5,9-10,12H,6-8,11H2,(H,17,18)
InChIKeyFXOGLIYUXPGZDH-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine?
The IUPAC name of 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine (CID 133389133) is 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine is c1ccc(CSc2cncc(NCC3CC3)n2)cc1.
What is the InChIKey of 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine?
The InChIKey is FXOGLIYUXPGZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-4-13(5-3-1)11-19-15-10-16-9-14(18-15)17-8-12-6-7-12/h1-5,9-10,12H,6-8,11H2,(H,17,18).
What are the key properties of 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine?
6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine has a molecular weight of 271.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine is sourced from PubChem (CID 133389133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).