2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide

C15H13N3OS — CID 1433832

IUPAC2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide
SMILESN#Cc1cc2ccccc2nc1SCC(=O)NC1CC1
InChIInChI=1S/C15H13N3OS/c16-8-11-7-10-3-1-2-4-13(10)18-15(11)20-9-14(19)17-12-5-6-12/h1-4,7,12H,5-6,9H2,(H,17,19)
InChIKeyAMPBYDMILSPYRE-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide

2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide (PubChem CID 1433832) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide
PubChem CID1433832
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide
SMILESN#Cc1cc2ccccc2nc1SCC(=O)NC1CC1
InChIInChI=1S/C15H13N3OS/c16-8-11-7-10-3-1-2-4-13(10)18-15(11)20-9-14(19)17-12-5-6-12/h1-4,7,12H,5-6,9H2,(H,17,19)
InChIKeyAMPBYDMILSPYRE-UHFFFAOYSA-N
XLogP2.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide (CID 1433832) is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide is N#Cc1cc2ccccc2nc1SCC(=O)NC1CC1.
What is the InChIKey of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is AMPBYDMILSPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-8-11-7-10-3-1-2-4-13(10)18-15(11)20-9-14(19)17-12-5-6-12/h1-4,7,12H,5-6,9H2,(H,17,19).
What are the key properties of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide?
2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 283.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 1433832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).