2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide

C8H7N3OS — CID 130489703

IUPAC2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1cc(SCC(N)=O)ccn1
InChIInChI=1S/C8H7N3OS/c9-4-6-3-7(1-2-11-6)13-5-8(10)12/h1-3H,5H2,(H2,10,12)
InChIKeyQCUDDMKAGBPLLZ-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.53
Rot. Bonds3

About 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide

2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide (PubChem CID 130489703) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide
PubChem CID130489703
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1cc(SCC(N)=O)ccn1
InChIInChI=1S/C8H7N3OS/c9-4-6-3-7(1-2-11-6)13-5-8(10)12/h1-3H,5H2,(H2,10,12)
InChIKeyQCUDDMKAGBPLLZ-UHFFFAOYSA-N
XLogP0.53
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide (CID 130489703) is 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide is N#Cc1cc(SCC(N)=O)ccn1.
What is the InChIKey of 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide?
The InChIKey is QCUDDMKAGBPLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-4-6-3-7(1-2-11-6)13-5-8(10)12/h1-3H,5H2,(H2,10,12).
What are the key properties of 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide?
2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide has a molecular weight of 193.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 130489703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).