N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine

C11H19N3OS — CID 63381265

IUPACN-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
SMILESCOCCCNCC(C)Sc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-10(8-12-4-3-7-15-2)16-11-9-13-5-6-14-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyUUTAQYAQZCSEIG-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.58
Rot. Bonds8

About N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine

N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine (PubChem CID 63381265) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
PubChem CID63381265
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
SMILESCOCCCNCC(C)Sc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-10(8-12-4-3-7-15-2)16-11-9-13-5-6-14-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyUUTAQYAQZCSEIG-UHFFFAOYSA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine (CID 63381265) is N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine is COCCCNCC(C)Sc1cnccn1.
What is the InChIKey of N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The InChIKey is UUTAQYAQZCSEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10(8-12-4-3-7-15-2)16-11-9-13-5-6-14-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-pyrazin-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 63381265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).