3-pyrazin-2-ylsulfanylbutan-1-amine

C8H13N3S — CID 63380915

IUPAC3-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCC(CCN)Sc1cnccn1
InChIInChI=1S/C8H13N3S/c1-7(2-3-9)12-8-6-10-4-5-11-8/h4-7H,2-3,9H2,1H3
InChIKeyRXEUIMFGCPOGLY-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.31
Rot. Bonds4

About 3-pyrazin-2-ylsulfanylbutan-1-amine

3-pyrazin-2-ylsulfanylbutan-1-amine (PubChem CID 63380915) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-pyrazin-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name3-pyrazin-2-ylsulfanylbutan-1-amine
PubChem CID63380915
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCC(CCN)Sc1cnccn1
InChIInChI=1S/C8H13N3S/c1-7(2-3-9)12-8-6-10-4-5-11-8/h4-7H,2-3,9H2,1H3
InChIKeyRXEUIMFGCPOGLY-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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Related Compounds

(Methylthio)pyrazine
CID 519907
2-(2-Propen-1-ylthio)pyrazine
CID 3025899
Pyrazine, (ethylthio)-
CID 528051
2-(3-Butenyl-2-thio)pyrazine
CID 9815314
2-(3-Methyl-2-butenylthio)pyrazine
CID 22923305
2-((3-Methyl-3-buten-1-yl)thio)pyrazine
CID 22923308
2-Fluoro-3-propylsulfanylpyrazine
CID 85967017
2-Propylsulfanylpyrazine
CID 12488726
2-Chloro-3-propylsulfanylpyrazine
CID 61696100
2,3-Bis(tert-butylsulfanyl)pyrazine
CID 71334433
2,3-Di-(allylthio)pyrazine
CID 129824890
2-Methylthiomethylthiopyrazine
CID 131046280

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-ylsulfanylbutan-1-amine?
The IUPAC name of 3-pyrazin-2-ylsulfanylbutan-1-amine (CID 63380915) is 3-pyrazin-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 3-pyrazin-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 3-pyrazin-2-ylsulfanylbutan-1-amine is CC(CCN)Sc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylsulfanylbutan-1-amine?
The InChIKey is RXEUIMFGCPOGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-7(2-3-9)12-8-6-10-4-5-11-8/h4-7H,2-3,9H2,1H3.
What are the key properties of 3-pyrazin-2-ylsulfanylbutan-1-amine?
3-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 3-pyrazin-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 63380915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).