N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide

C9H9N3OS — CID 79215620

IUPACN-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide
SMILESC#CCNC(=O)CSc1cnccn1
InChIInChI=1S/C9H9N3OS/c1-2-3-11-8(13)7-14-9-6-10-4-5-12-9/h1,4-6H,3,7H2,(H,11,13)
InChIKeyBKIWTPXAETVUJU-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.32
Rot. Bonds4

About N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide

N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide (PubChem CID 79215620) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide
PubChem CID79215620
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide
SMILESC#CCNC(=O)CSc1cnccn1
InChIInChI=1S/C9H9N3OS/c1-2-3-11-8(13)7-14-9-6-10-4-5-12-9/h1,4-6H,3,7H2,(H,11,13)
InChIKeyBKIWTPXAETVUJU-UHFFFAOYSA-N
XLogP0.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide?
The IUPAC name of N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide (CID 79215620) is N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide.
What is the SMILES notation for N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide?
The canonical SMILES for N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide is C#CCNC(=O)CSc1cnccn1.
What is the InChIKey of N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide?
The InChIKey is BKIWTPXAETVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-2-3-11-8(13)7-14-9-6-10-4-5-12-9/h1,4-6H,3,7H2,(H,11,13).
What are the key properties of N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide?
N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide has a molecular weight of 207.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide is sourced from PubChem (CID 79215620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).