N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide

C8H11N3O2S — CID 63380715

IUPACN-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide
SMILESO=C(CSc1cnccn1)NCCO
InChIInChI=1S/C8H11N3O2S/c12-4-3-10-7(13)6-14-8-5-9-1-2-11-8/h1-2,5,12H,3-4,6H2,(H,10,13)
InChIKeyNHEHCGLKCYQRLG-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.32
Rot. Bonds5

About N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide

N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide (PubChem CID 63380715) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide
PubChem CID63380715
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide
SMILESO=C(CSc1cnccn1)NCCO
InChIInChI=1S/C8H11N3O2S/c12-4-3-10-7(13)6-14-8-5-9-1-2-11-8/h1-2,5,12H,3-4,6H2,(H,10,13)
InChIKeyNHEHCGLKCYQRLG-UHFFFAOYSA-N
XLogP-0.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide (CID 63380715) is N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide is O=C(CSc1cnccn1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide?
The InChIKey is NHEHCGLKCYQRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-4-3-10-7(13)6-14-8-5-9-1-2-11-8/h1-2,5,12H,3-4,6H2,(H,10,13).
What are the key properties of N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide?
N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide has a molecular weight of 213.26 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide is sourced from PubChem (CID 63380715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).