2-methylsulfanyl-N-quinolin-5-ylpropanamide

C13H14N2OS — CID 47188211

IUPAC2-methylsulfanyl-N-quinolin-5-ylpropanamide
SMILESCSC(C)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C13H14N2OS/c1-9(17-2)13(16)15-12-7-3-6-11-10(12)5-4-8-14-11/h3-9H,1-2H3,(H,15,16)
InChIKeyOFBBKHHOZICRNX-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.92
Rot. Bonds3

About 2-methylsulfanyl-N-quinolin-5-ylpropanamide

2-methylsulfanyl-N-quinolin-5-ylpropanamide (PubChem CID 47188211) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-quinolin-5-ylpropanamide
PubChem CID47188211
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-methylsulfanyl-N-quinolin-5-ylpropanamide
SMILESCSC(C)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C13H14N2OS/c1-9(17-2)13(16)15-12-7-3-6-11-10(12)5-4-8-14-11/h3-9H,1-2H3,(H,15,16)
InChIKeyOFBBKHHOZICRNX-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34854474
2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 42944877
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
methyl N-quinolin-5-ylcarbamate
CID 110734012
(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34319696
2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
CID 47027514
4-methylsulfanyl-2-pyrrol-1-yl-N-quinolin-5-ylbutanamide
CID 121240187
2-amino-N-quinolin-5-ylhexanamide
CID 54928381
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-methylsulfanyl-N-quinolin-5-ylpropanamide (CID 47188211) is 2-methylsulfanyl-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-methylsulfanyl-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-methylsulfanyl-N-quinolin-5-ylpropanamide is CSC(C)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-methylsulfanyl-N-quinolin-5-ylpropanamide?
The InChIKey is OFBBKHHOZICRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9(17-2)13(16)15-12-7-3-6-11-10(12)5-4-8-14-11/h3-9H,1-2H3,(H,15,16).
What are the key properties of 2-methylsulfanyl-N-quinolin-5-ylpropanamide?
2-methylsulfanyl-N-quinolin-5-ylpropanamide has a molecular weight of 246.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 47188211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).