1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide

C7H8N4O2S — CID 175909092

IUPAC1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1nccnc1C#N
InChIInChI=1S/C7H8N4O2S/c1-9-14(12,13)5-7-6(4-8)10-2-3-11-7/h2-3,9H,5H2,1H3
InChIKeyYIGQOTAFQLRTAL-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.60
Rot. Bonds3

About 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide

1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide (PubChem CID 175909092) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide
PubChem CID175909092
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1nccnc1C#N
InChIInChI=1S/C7H8N4O2S/c1-9-14(12,13)5-7-6(4-8)10-2-3-11-7/h2-3,9H,5H2,1H3
InChIKeyYIGQOTAFQLRTAL-UHFFFAOYSA-N
XLogP-0.60
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide (CID 175909092) is 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1nccnc1C#N.
What is the InChIKey of 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide?
The InChIKey is YIGQOTAFQLRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-9-14(12,13)5-7-6(4-8)10-2-3-11-7/h2-3,9H,5H2,1H3.
What are the key properties of 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide?
1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide has a molecular weight of 212.23 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 175909092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).