2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride

C12H13Cl2N3OS — CID 21151060

IUPAC2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
SMILESCl.Cl.NC(=O)C(Sc1ccccn1)c1ccccn1
InChIInChI=1S/C12H11N3OS.2ClH/c13-12(16)11(9-5-1-3-7-14-9)17-10-6-2-4-8-15-10;;/h1-8,11H,(H2,13,16);2*1H
InChIKeyJEBCWFBMFFPSIP-UHFFFAOYSA-N
MW318.23 g/mol
LogP2.64
Rot. Bonds4

About 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride

2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride (PubChem CID 21151060) has the molecular formula C12H13Cl2N3OS and a molecular weight of 318.23 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
PubChem CID21151060
Molecular FormulaC12H13Cl2N3OS
Molecular Weight318.23 g/mol
Exact Mass317.02
IUPAC Name2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
SMILESCl.Cl.NC(=O)C(Sc1ccccn1)c1ccccn1
InChIInChI=1S/C12H11N3OS.2ClH/c13-12(16)11(9-5-1-3-7-14-9)17-10-6-2-4-8-15-10;;/h1-8,11H,(H2,13,16);2*1H
InChIKeyJEBCWFBMFFPSIP-UHFFFAOYSA-N
XLogP2.64
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide
CID 21151398
2-phenyl-2-pyridin-2-ylsulfanylacetic acid
CID 18073234
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
5-phenyl-2-pyridin-2-ylsulfanylpentanamide
CID 11119704
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
2-(methylamino)-2-pyridin-2-ylacetamide
CID 82111263
[pyridin-2-yl(sulfanyl)methyl] carbamate;hydrochloride
CID 3021537

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride?
The IUPAC name of 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride (CID 21151060) is 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride.
What is the SMILES notation for 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride?
The canonical SMILES for 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride is Cl.Cl.NC(=O)C(Sc1ccccn1)c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride?
The InChIKey is JEBCWFBMFFPSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS.2ClH/c13-12(16)11(9-5-1-3-7-14-9)17-10-6-2-4-8-15-10;;/h1-8,11H,(H2,13,16);2*1H.
What are the key properties of 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride?
2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride has a molecular weight of 318.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride is sourced from PubChem (CID 21151060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).