N-methylsulfonyl-2-quinolin-6-ylpropanamide

C13H14N2O3S — CID 167805827

IUPACN-methylsulfonyl-2-quinolin-6-ylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc2ncccc2c1
InChIInChI=1S/C13H14N2O3S/c1-9(13(16)15-19(2,17)18)10-5-6-12-11(8-10)4-3-7-14-12/h3-9H,1-2H3,(H,15,16)
InChIKeyYUFZDDVASHVMGY-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.41
Rot. Bonds3

About N-methylsulfonyl-2-quinolin-6-ylpropanamide

N-methylsulfonyl-2-quinolin-6-ylpropanamide (PubChem CID 167805827) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-methylsulfonyl-2-quinolin-6-ylpropanamide.

Molecular Properties

Compound NameN-methylsulfonyl-2-quinolin-6-ylpropanamide
PubChem CID167805827
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-methylsulfonyl-2-quinolin-6-ylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc2ncccc2c1
InChIInChI=1S/C13H14N2O3S/c1-9(13(16)15-19(2,17)18)10-5-6-12-11(8-10)4-3-7-14-12/h3-9H,1-2H3,(H,15,16)
InChIKeyYUFZDDVASHVMGY-UHFFFAOYSA-N
XLogP1.41
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
(2-methylsulfonyl-1-quinolin-6-ylethyl)hydrazine
CID 105327359
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(1-nitrosoethyl)quinoline
CID 54028651
2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride
CID 159246626
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine
CID 105021031

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-2-quinolin-6-ylpropanamide?
The IUPAC name of N-methylsulfonyl-2-quinolin-6-ylpropanamide (CID 167805827) is N-methylsulfonyl-2-quinolin-6-ylpropanamide.
What is the SMILES notation for N-methylsulfonyl-2-quinolin-6-ylpropanamide?
The canonical SMILES for N-methylsulfonyl-2-quinolin-6-ylpropanamide is CC(C(=O)NS(C)(=O)=O)c1ccc2ncccc2c1.
What is the InChIKey of N-methylsulfonyl-2-quinolin-6-ylpropanamide?
The InChIKey is YUFZDDVASHVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9(13(16)15-19(2,17)18)10-5-6-12-11(8-10)4-3-7-14-12/h3-9H,1-2H3,(H,15,16).
What are the key properties of N-methylsulfonyl-2-quinolin-6-ylpropanamide?
N-methylsulfonyl-2-quinolin-6-ylpropanamide has a molecular weight of 278.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-2-quinolin-6-ylpropanamide is sourced from PubChem (CID 167805827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).