2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide

C11H11N3O2S — CID 143156835

IUPAC2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(N)=O)[nH]c(=O)c2c1CCC2
InChIInChI=1S/C11H11N3O2S/c12-4-8-6-2-1-3-7(6)10(16)14-11(8)17-5-9(13)15/h1-3,5H2,(H2,13,15)(H,14,16)
InChIKeyBNGGBABGMOONBA-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.31
Rot. Bonds3

About 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide

2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide (PubChem CID 143156835) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide
PubChem CID143156835
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(N)=O)[nH]c(=O)c2c1CCC2
InChIInChI=1S/C11H11N3O2S/c12-4-8-6-2-1-3-7(6)10(16)14-11(8)17-5-9(13)15/h1-3,5H2,(H2,13,15)(H,14,16)
InChIKeyBNGGBABGMOONBA-UHFFFAOYSA-N
XLogP0.31
TPSA99.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
CID 6460595
1-oxo-3-sulfanyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 83668138
1-(2-methylpropyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile
CID 661524
1-[(4-bromophenyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 90137675
2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide
CID 16751559
2-[(3-cyano-5-isocyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid
CID 147223090
ethyl 4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxobutanoate
CID 3156237
N'-amino-2-[[3-cyano-5-fluoro-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]ethanimidamide
CID 162608459
1,2,3,6,7,8-hexahydro-as-indacene-4,5-dicarbonitrile
CID 22157187
2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)sulfanyl]acetamide
CID 15269060
ethyl 2-[(4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)sulfanyl]acetate
CID 6459233
3-[(3,5-dicyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]propanoic acid
CID 135197648

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide (CID 143156835) is 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide is N#Cc1c(SCC(N)=O)[nH]c(=O)c2c1CCC2.
What is the InChIKey of 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide?
The InChIKey is BNGGBABGMOONBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-4-8-6-2-1-3-7(6)10(16)14-11(8)17-5-9(13)15/h1-3,5H2,(H2,13,15)(H,14,16).
What are the key properties of 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide?
2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide has a molecular weight of 249.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 143156835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).