N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine

C11H19N3S — CID 63381220

IUPACN-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine
SMILESCCCCNCC(C)Sc1cnccn1
InChIInChI=1S/C11H19N3S/c1-3-4-5-12-8-10(2)15-11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyMWZUXOIDSJKCKK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.35
Rot. Bonds7

About N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine

N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine (PubChem CID 63381220) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine
PubChem CID63381220
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine
SMILESCCCCNCC(C)Sc1cnccn1
InChIInChI=1S/C11H19N3S/c1-3-4-5-12-8-10(2)15-11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyMWZUXOIDSJKCKK-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine?
The IUPAC name of N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine (CID 63381220) is N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine.
What is the SMILES notation for N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine?
The canonical SMILES for N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine is CCCCNCC(C)Sc1cnccn1.
What is the InChIKey of N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine?
The InChIKey is MWZUXOIDSJKCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-4-5-12-8-10(2)15-11-9-13-6-7-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine?
N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine is sourced from PubChem (CID 63381220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).