2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine

C10H15N3S — CID 65497970

IUPAC2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine
SMILESNCCC1(CSc2cnccn2)CC1
InChIInChI=1S/C10H15N3S/c11-4-3-10(1-2-10)8-14-9-7-12-5-6-13-9/h5-7H,1-4,8,11H2
InChIKeyCKBKPZXLYPTTLC-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.70
Rot. Bonds5

About 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine

2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine (PubChem CID 65497970) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine
PubChem CID65497970
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine
SMILESNCCC1(CSc2cnccn2)CC1
InChIInChI=1S/C10H15N3S/c11-4-3-10(1-2-10)8-14-9-7-12-5-6-13-9/h5-7H,1-4,8,11H2
InChIKeyCKBKPZXLYPTTLC-UHFFFAOYSA-N
XLogP1.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine (CID 65497970) is 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine is NCCC1(CSc2cnccn2)CC1.
What is the InChIKey of 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine?
The InChIKey is CKBKPZXLYPTTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-4-3-10(1-2-10)8-14-9-7-12-5-6-13-9/h5-7H,1-4,8,11H2.
What are the key properties of 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine?
2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine has a molecular weight of 209.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 65497970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).