N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide

C15H16N2OS — CID 2100636

IUPACN-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC2CC2)nc2ccccc12
InChIInChI=1S/C15H16N2OS/c1-10-8-15(17-13-5-3-2-4-12(10)13)19-9-14(18)16-11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,16,18)
InChIKeyNCVXLXZQGBYJKH-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.91
Rot. Bonds4

About N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2100636) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2100636
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC2CC2)nc2ccccc12
InChIInChI=1S/C15H16N2OS/c1-10-8-15(17-13-5-3-2-4-12(10)13)19-9-14(18)16-11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,16,18)
InChIKeyNCVXLXZQGBYJKH-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2100636) is N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)NC2CC2)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is NCVXLXZQGBYJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-8-15(17-13-5-3-2-4-12(10)13)19-9-14(18)16-11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 272.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2100636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).