2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide

C13H15N3OS — CID 713662

IUPAC2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
SMILESN#Cc1cc2c(nc1SCC(N)=O)CCCCC2
InChIInChI=1S/C13H15N3OS/c14-7-10-6-9-4-2-1-3-5-11(9)16-13(10)18-8-12(15)17/h6H,1-5,8H2,(H2,15,17)
InChIKeyQBOHJXLPEMNNBZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.80
Rot. Bonds3

About 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide

2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 713662) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID713662
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
SMILESN#Cc1cc2c(nc1SCC(N)=O)CCCCC2
InChIInChI=1S/C13H15N3OS/c14-7-10-6-9-4-2-1-3-5-11(9)16-13(10)18-8-12(15)17/h6H,1-5,8H2,(H2,15,17)
InChIKeyQBOHJXLPEMNNBZ-UHFFFAOYSA-N
XLogP1.80
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isopropyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate
CID 1951125
2-(2-methylprop-2-enylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 681230
2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 710311
2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
CID 929998
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetic acid
CID 845582
2-(3-Cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide
CID 2046490
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N,N-diethylacetamide
CID 744025
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
2-[(Cyanomethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 646581
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
Ethyl {[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}carbamate
CID 655430
2-[(Cyanomethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 658114

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide (CID 713662) is 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide is N#Cc1cc2c(nc1SCC(N)=O)CCCCC2.
What is the InChIKey of 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is QBOHJXLPEMNNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-7-10-6-9-4-2-1-3-5-11(9)16-13(10)18-8-12(15)17/h6H,1-5,8H2,(H2,15,17).
What are the key properties of 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide?
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 713662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).