N-pyrazin-2-ylethanesulfonamide

C6H9N3O2S — CID 22772905

IUPACN-pyrazin-2-ylethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnccn1
InChIInChI=1S/C6H9N3O2S/c1-2-12(10,11)9-6-5-7-3-4-8-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyZEONLKKKCVOJOW-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.24
Rot. Bonds3

About N-pyrazin-2-ylethanesulfonamide

N-pyrazin-2-ylethanesulfonamide (PubChem CID 22772905) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-pyrazin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-pyrazin-2-ylethanesulfonamide
PubChem CID22772905
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-pyrazin-2-ylethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnccn1
InChIInChI=1S/C6H9N3O2S/c1-2-12(10,11)9-6-5-7-3-4-8-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyZEONLKKKCVOJOW-UHFFFAOYSA-N
XLogP0.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-ylethanesulfonamide?
The IUPAC name of N-pyrazin-2-ylethanesulfonamide (CID 22772905) is N-pyrazin-2-ylethanesulfonamide.
What is the SMILES notation for N-pyrazin-2-ylethanesulfonamide?
The canonical SMILES for N-pyrazin-2-ylethanesulfonamide is CCS(=O)(=O)Nc1cnccn1.
What is the InChIKey of N-pyrazin-2-ylethanesulfonamide?
The InChIKey is ZEONLKKKCVOJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-12(10,11)9-6-5-7-3-4-8-6/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of N-pyrazin-2-ylethanesulfonamide?
N-pyrazin-2-ylethanesulfonamide has a molecular weight of 187.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-ylethanesulfonamide is sourced from PubChem (CID 22772905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).