2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide

C14H19N5OS — CID 106678918

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CSc1nccnc1N)C1(C#N)CCCCC1
InChIInChI=1S/C14H19N5OS/c1-19(14(10-15)5-3-2-4-6-14)11(20)9-21-13-12(16)17-7-8-18-13/h7-8H,2-6,9H2,1H3,(H2,16,17)
InChIKeyPLTAVVFPAHUUSX-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.84
Rot. Bonds4

About 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide

2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 106678918) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID106678918
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CSc1nccnc1N)C1(C#N)CCCCC1
InChIInChI=1S/C14H19N5OS/c1-19(14(10-15)5-3-2-4-6-14)11(20)9-21-13-12(16)17-7-8-18-13/h7-8H,2-6,9H2,1H3,(H2,16,17)
InChIKeyPLTAVVFPAHUUSX-UHFFFAOYSA-N
XLogP1.84
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 106678918) is 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide is CN(C(=O)CSc1nccnc1N)C1(C#N)CCCCC1.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is PLTAVVFPAHUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-19(14(10-15)5-3-2-4-6-14)11(20)9-21-13-12(16)17-7-8-18-13/h7-8H,2-6,9H2,1H3,(H2,16,17).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 305.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 106678918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).