2-pyrimidin-5-ylethanesulfonamide

C6H9N3O2S — CID 68975653

IUPAC2-pyrimidin-5-ylethanesulfonamide
SMILESNS(=O)(=O)CCc1cncnc1
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)2-1-6-3-8-5-9-4-6/h3-5H,1-2H2,(H2,7,10,11)
InChIKeyJGVOATURYKRDSK-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.69
Rot. Bonds3

About 2-pyrimidin-5-ylethanesulfonamide

2-pyrimidin-5-ylethanesulfonamide (PubChem CID 68975653) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-pyrimidin-5-ylethanesulfonamide.

Molecular Properties

Compound Name2-pyrimidin-5-ylethanesulfonamide
PubChem CID68975653
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-pyrimidin-5-ylethanesulfonamide
SMILESNS(=O)(=O)CCc1cncnc1
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)2-1-6-3-8-5-9-4-6/h3-5H,1-2H2,(H2,7,10,11)
InChIKeyJGVOATURYKRDSK-UHFFFAOYSA-N
XLogP-0.69
TPSA85.94 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 ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylethanesulfonamide?
The IUPAC name of 2-pyrimidin-5-ylethanesulfonamide (CID 68975653) is 2-pyrimidin-5-ylethanesulfonamide.
What is the SMILES notation for 2-pyrimidin-5-ylethanesulfonamide?
The canonical SMILES for 2-pyrimidin-5-ylethanesulfonamide is NS(=O)(=O)CCc1cncnc1.
What is the InChIKey of 2-pyrimidin-5-ylethanesulfonamide?
The InChIKey is JGVOATURYKRDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-12(10,11)2-1-6-3-8-5-9-4-6/h3-5H,1-2H2,(H2,7,10,11).
What are the key properties of 2-pyrimidin-5-ylethanesulfonamide?
2-pyrimidin-5-ylethanesulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-ylethanesulfonamide is sourced from PubChem (CID 68975653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).