3-decylsulfanylpyrazin-2-amine

C14H25N3S — CID 106678948

IUPAC3-decylsulfanylpyrazin-2-amine
SMILESCCCCCCCCCCSc1nccnc1N
InChIInChI=1S/C14H25N3S/c1-2-3-4-5-6-7-8-9-12-18-14-13(15)16-10-11-17-14/h10-11H,2-9,12H2,1H3,(H2,15,16)
InChIKeyPEVAQPFSWXWGNA-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.29
Rot. Bonds10

About 3-decylsulfanylpyrazin-2-amine

3-decylsulfanylpyrazin-2-amine (PubChem CID 106678948) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-decylsulfanylpyrazin-2-amine.

Molecular Properties

Compound Name3-decylsulfanylpyrazin-2-amine
PubChem CID106678948
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3-decylsulfanylpyrazin-2-amine
SMILESCCCCCCCCCCSc1nccnc1N
InChIInChI=1S/C14H25N3S/c1-2-3-4-5-6-7-8-9-12-18-14-13(15)16-10-11-17-14/h10-11H,2-9,12H2,1H3,(H2,15,16)
InChIKeyPEVAQPFSWXWGNA-UHFFFAOYSA-N
XLogP4.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-decylsulfanylpyrazin-2-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

3-octylsulfanylpyrazin-2-amine
CID 106678549
3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine
CID 106679257
3-(3-aminopropylsulfanyl)pyrazin-2-amine
CID 106678432
3-pentylsulfanylpyrazine-2-carbonitrile
CID 103912485
3-pent-4-ynylsulfanylpyrazin-2-amine
CID 106678637
3-pentylsulfanylpyrazine-2-carboximidamide
CID 107750030
2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile
CID 5037576
4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide
CID 106679462
3-[3-(4-chlorophenoxy)propylsulfanyl]pyrazin-2-amine
CID 106678769
3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine
CID 106679289
3-nitro-2-octylsulfanylpyridine
CID 174979790
2-hexylsulfanyl-3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazine
CID 67853335

Frequently Asked Questions

What is the IUPAC name of 3-decylsulfanylpyrazin-2-amine?
The IUPAC name of 3-decylsulfanylpyrazin-2-amine (CID 106678948) is 3-decylsulfanylpyrazin-2-amine.
What is the SMILES notation for 3-decylsulfanylpyrazin-2-amine?
The canonical SMILES for 3-decylsulfanylpyrazin-2-amine is CCCCCCCCCCSc1nccnc1N.
What is the InChIKey of 3-decylsulfanylpyrazin-2-amine?
The InChIKey is PEVAQPFSWXWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-2-3-4-5-6-7-8-9-12-18-14-13(15)16-10-11-17-14/h10-11H,2-9,12H2,1H3,(H2,15,16).
What are the key properties of 3-decylsulfanylpyrazin-2-amine?
3-decylsulfanylpyrazin-2-amine has a molecular weight of 267.44 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decylsulfanylpyrazin-2-amine is sourced from PubChem (CID 106678948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).