N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine

C9H13N3S — CID 103068568

IUPACN-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CSc1cnccn1
InChIInChI=1S/C9H13N3S/c1-8(5-10-2)7-13-9-6-11-3-4-12-9/h3-4,6,10H,1,5,7H2,2H3
InChIKeyIYESXAHMPKAWOT-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.34
Rot. Bonds5

About N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine

N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068568) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068568
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)CSc1cnccn1
InChIInChI=1S/C9H13N3S/c1-8(5-10-2)7-13-9-6-11-3-4-12-9/h3-4,6,10H,1,5,7H2,2H3
InChIKeyIYESXAHMPKAWOT-UHFFFAOYSA-N
XLogP1.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine (CID 103068568) is N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine is C=C(CNC)CSc1cnccn1.
What is the InChIKey of N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is IYESXAHMPKAWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-8(5-10-2)7-13-9-6-11-3-4-12-9/h3-4,6,10H,1,5,7H2,2H3.
What are the key properties of N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine?
N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 195.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).