4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine

C12H21N3OS — CID 55248327

IUPAC4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine
SMILESCCOCCCCNCCSc1cnccn1
InChIInChI=1S/C12H21N3OS/c1-2-16-9-4-3-5-13-8-10-17-12-11-14-6-7-15-12/h6-7,11,13H,2-5,8-10H2,1H3
InChIKeyBSBXOQIGTCHIET-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.98
Rot. Bonds10

About 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine

4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine (PubChem CID 55248327) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine
PubChem CID55248327
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine
SMILESCCOCCCCNCCSc1cnccn1
InChIInChI=1S/C12H21N3OS/c1-2-16-9-4-3-5-13-8-10-17-12-11-14-6-7-15-12/h6-7,11,13H,2-5,8-10H2,1H3
InChIKeyBSBXOQIGTCHIET-UHFFFAOYSA-N
XLogP1.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-pyrazin-2-ylsulfanylpropanamide
CID 130928775
N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 55248517
3-Pyrazin-2-ylsulfanylbutan-1-amine
CID 63380915
1-(Methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
CID 63380950
2-Ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine
CID 63380958
1-(Propylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
CID 63381000
1-(Ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
CID 63381001
2-Ethoxy-3-pyrazin-2-ylsulfanylpropan-1-amine
CID 63381003
2-Pyrazin-2-ylsulfanylbutan-1-amine
CID 63381005
N-(2-pyrazin-2-ylsulfanylpropyl)pentan-1-amine
CID 63381219
N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine
CID 63381220
3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine
CID 63381262

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine (CID 55248327) is 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine is CCOCCCCNCCSc1cnccn1.
What is the InChIKey of 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine?
The InChIKey is BSBXOQIGTCHIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-16-9-4-3-5-13-8-10-17-12-11-14-6-7-15-12/h6-7,11,13H,2-5,8-10H2,1H3.
What are the key properties of 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine?
4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 55248327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).