N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide

C12H11N3OS — CID 687330

IUPACN-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccccn1
InChIInChI=1S/C12H11N3OS/c16-11(15-10-5-1-3-7-13-10)9-17-12-6-2-4-8-14-12/h1-8H,9H2,(H,13,15,16)
InChIKeyYLCUNAZWVFFFHE-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.21
Rot. Bonds4

About N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide

N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide (PubChem CID 687330) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
PubChem CID687330
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccccn1
InChIInChI=1S/C12H11N3OS/c16-11(15-10-5-1-3-7-13-10)9-17-12-6-2-4-8-14-12/h1-8H,9H2,(H,13,15,16)
InChIKeyYLCUNAZWVFFFHE-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-carbamoyl-2-pyridin-2-ylsulfanylacetamide
CID 5147544
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide (CID 687330) is N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccccn1.
What is the InChIKey of N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is YLCUNAZWVFFFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-11(15-10-5-1-3-7-13-10)9-17-12-6-2-4-8-14-12/h1-8H,9H2,(H,13,15,16).
What are the key properties of N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide?
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 245.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 687330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).