2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide

C15H18N4OS — CID 106679306

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
SMILESNc1nccnc1SCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H18N4OS/c16-14-15(19-10-9-18-14)21-11-13(20)17-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,16,18)(H,17,20)
InChIKeyNJWLUHNNQAUAJC-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.90
Rot. Bonds7

About 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide

2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide (PubChem CID 106679306) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
PubChem CID106679306
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
SMILESNc1nccnc1SCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H18N4OS/c16-14-15(19-10-9-18-14)21-11-13(20)17-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,16,18)(H,17,20)
InChIKeyNJWLUHNNQAUAJC-UHFFFAOYSA-N
XLogP1.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-(3-phenylpropyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196826
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
CID 106679325
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2390487
2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
CID 35975955
3-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid
CID 43091329
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
N-(3-phenylpropyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501953
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 30432250
2-(4-nitrophenyl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 26518310

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide (CID 106679306) is 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide is Nc1nccnc1SCC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide?
The InChIKey is NJWLUHNNQAUAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-14-15(19-10-9-18-14)21-11-13(20)17-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,16,18)(H,17,20).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide?
2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 106679306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).