2-(5-methylsulfonyl-3-pyridinyl)acetamide

C8H10N2O3S — CID 67982588

IUPAC2-(5-methylsulfonyl-3-pyridinyl)acetamide
SMILESCS(=O)(=O)c1cncc(CC(N)=O)c1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)7-2-6(3-8(9)11)4-10-5-7/h2,4-5H,3H2,1H3,(H2,9,11)
InChIKeyPWYGYHPETOQNNU-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.49
Rot. Bonds3

About 2-(5-methylsulfonyl-3-pyridinyl)acetamide

2-(5-methylsulfonyl-3-pyridinyl)acetamide (PubChem CID 67982588) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(5-methylsulfonyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-methylsulfonyl-3-pyridinyl)acetamide
PubChem CID67982588
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(5-methylsulfonyl-3-pyridinyl)acetamide
SMILESCS(=O)(=O)c1cncc(CC(N)=O)c1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)7-2-6(3-8(9)11)4-10-5-7/h2,4-5H,3H2,1H3,(H2,9,11)
InChIKeyPWYGYHPETOQNNU-UHFFFAOYSA-N
XLogP-0.49
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfonyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(5-methylsulfonyl-3-pyridinyl)acetamide (CID 67982588) is 2-(5-methylsulfonyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-methylsulfonyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5-methylsulfonyl-3-pyridinyl)acetamide is CS(=O)(=O)c1cncc(CC(N)=O)c1.
What is the InChIKey of 2-(5-methylsulfonyl-3-pyridinyl)acetamide?
The InChIKey is PWYGYHPETOQNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-14(12,13)7-2-6(3-8(9)11)4-10-5-7/h2,4-5H,3H2,1H3,(H2,9,11).
What are the key properties of 2-(5-methylsulfonyl-3-pyridinyl)acetamide?
2-(5-methylsulfonyl-3-pyridinyl)acetamide has a molecular weight of 214.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfonyl-3-pyridinyl)acetamide is sourced from PubChem (CID 67982588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).