2-pyrazin-2-ylsulfanylbutan-1-amine

C8H13N3S — CID 63381005

IUPAC2-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCCC(CN)Sc1cnccn1
InChIInChI=1S/C8H13N3S/c1-2-7(5-9)12-8-6-10-3-4-11-8/h3-4,6-7H,2,5,9H2,1H3
InChIKeyOKYLRPWAIJTUSL-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.31
Rot. Bonds4

About 2-pyrazin-2-ylsulfanylbutan-1-amine

2-pyrazin-2-ylsulfanylbutan-1-amine (PubChem CID 63381005) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfanylbutan-1-amine
PubChem CID63381005
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCCC(CN)Sc1cnccn1
InChIInChI=1S/C8H13N3S/c1-2-7(5-9)12-8-6-10-3-4-11-8/h3-4,6-7H,2,5,9H2,1H3
InChIKeyOKYLRPWAIJTUSL-UHFFFAOYSA-N
XLogP1.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfanylbutan-1-amine?
The IUPAC name of 2-pyrazin-2-ylsulfanylbutan-1-amine (CID 63381005) is 2-pyrazin-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 2-pyrazin-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 2-pyrazin-2-ylsulfanylbutan-1-amine is CCC(CN)Sc1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylsulfanylbutan-1-amine?
The InChIKey is OKYLRPWAIJTUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-7(5-9)12-8-6-10-3-4-11-8/h3-4,6-7H,2,5,9H2,1H3.
What are the key properties of 2-pyrazin-2-ylsulfanylbutan-1-amine?
2-pyrazin-2-ylsulfanylbutan-1-amine has a molecular weight of 183.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 63381005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).