2-methylsulfanyl-N-pyridin-2-ylacetamide

C8H10N2OS — CID 130725350

IUPAC2-methylsulfanyl-N-pyridin-2-ylacetamide
SMILESCSCC(=O)Nc1ccccn1
InChIInChI=1S/C8H10N2OS/c1-12-6-8(11)10-7-4-2-3-5-9-7/h2-5H,6H2,1H3,(H,9,10,11)
InChIKeyVVFHENPLLUIFHX-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.38
Rot. Bonds3

About 2-methylsulfanyl-N-pyridin-2-ylacetamide

2-methylsulfanyl-N-pyridin-2-ylacetamide (PubChem CID 130725350) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-methylsulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-pyridin-2-ylacetamide
PubChem CID130725350
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-methylsulfanyl-N-pyridin-2-ylacetamide
SMILESCSCC(=O)Nc1ccccn1
InChIInChI=1S/C8H10N2OS/c1-12-6-8(11)10-7-4-2-3-5-9-7/h2-5H,6H2,1H3,(H,9,10,11)
InChIKeyVVFHENPLLUIFHX-UHFFFAOYSA-N
XLogP1.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-pyridin-2-yl-2-(trifluoromethylsulfanyl)acetamide
CID 2319940
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 933898
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
CID 154775237
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 684403
pyridine;N-pyridin-2-ylacetamide
CID 67298573

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-methylsulfanyl-N-pyridin-2-ylacetamide (CID 130725350) is 2-methylsulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-methylsulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-methylsulfanyl-N-pyridin-2-ylacetamide is CSCC(=O)Nc1ccccn1.
What is the InChIKey of 2-methylsulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is VVFHENPLLUIFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-6-8(11)10-7-4-2-3-5-9-7/h2-5H,6H2,1H3,(H,9,10,11).
What are the key properties of 2-methylsulfanyl-N-pyridin-2-ylacetamide?
2-methylsulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 182.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 130725350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).