3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide

C14H16N2OS — CID 77090150

IUPAC3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
SMILESCSCCC(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2OS/c1-18-9-8-14(17)15-10-12-7-6-11-4-2-3-5-13(11)16-12/h2-7H,8-10H2,1H3,(H,15,17)
InChIKeyWCJFXVXDZTYOBS-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.60
Rot. Bonds5

About 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide

3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide (PubChem CID 77090150) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
PubChem CID77090150
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
SMILESCSCCC(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2OS/c1-18-9-8-14(17)15-10-12-7-6-11-4-2-3-5-13(11)16-12/h2-7H,8-10H2,1H3,(H,15,17)
InChIKeyWCJFXVXDZTYOBS-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110734093
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
2-(cyclopropylmethylsulfanyl)-N-(quinolin-2-ylmethyl)acetamide
CID 90649184
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 166207351
3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 131889023
N-[(2-aminophenyl)methyl]-3-methylsulfanylpropanamide
CID 62057045
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115573545
1-quinolin-2-ylpentan-2-one
CID 28935199
4-(quinolin-2-ylmethylsulfanyl)butan-2-one
CID 20505325
N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide (CID 77090150) is 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide is CSCCC(=O)NCc1ccc2ccccc2n1.
What is the InChIKey of 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide?
The InChIKey is WCJFXVXDZTYOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-18-9-8-14(17)15-10-12-7-6-11-4-2-3-5-13(11)16-12/h2-7H,8-10H2,1H3,(H,15,17).
What are the key properties of 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide?
3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide has a molecular weight of 260.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide is sourced from PubChem (CID 77090150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).