4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide

C15H18N4OS — CID 106678707

IUPAC4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCSc2nccnc2N)c1
InChIInChI=1S/C15H18N4OS/c1-11-4-2-5-12(10-11)19-13(20)6-3-9-21-15-14(16)17-7-8-18-15/h2,4-5,7-8,10H,3,6,9H2,1H3,(H2,16,17)(H,19,20)
InChIKeyZNHLTSPPNUACEX-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.88
Rot. Bonds6

About 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide

4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide (PubChem CID 106678707) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide
PubChem CID106678707
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCSc2nccnc2N)c1
InChIInChI=1S/C15H18N4OS/c1-11-4-2-5-12(10-11)19-13(20)6-3-9-21-15-14(16)17-7-8-18-15/h2,4-5,7-8,10H,3,6,9H2,1H3,(H2,16,17)(H,19,20)
InChIKeyZNHLTSPPNUACEX-UHFFFAOYSA-N
XLogP2.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.88
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

4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide
CID 106679462
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetic acid
CID 43352223
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 23945196
4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide
CID 66220999
2-methyl-2-[4-(3-methylanilino)-4-oxobutyl]sulfanylpropanoic acid
CID 81228776
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
ethyl 4-amino-2-[3-(3-methylanilino)-3-oxopropyl]sulfanylpyrimidine-5-carboxylate
CID 23913587
N-(3-aminophenyl)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63697630
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide
CID 134713732
N-(3-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268022

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide (CID 106678707) is 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide is Cc1cccc(NC(=O)CCCSc2nccnc2N)c1.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide?
The InChIKey is ZNHLTSPPNUACEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-4-2-5-12(10-11)19-13(20)6-3-9-21-15-14(16)17-7-8-18-15/h2,4-5,7-8,10H,3,6,9H2,1H3,(H2,16,17)(H,19,20).
What are the key properties of 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide?
4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide has a molecular weight of 302.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 106678707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).