1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide

C17H21N3O3S — CID 53498297

IUPAC1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C17H21N3O3S/c1-24(22,23)20-12-4-8-15(20)17(21)19-11-9-14-6-2-5-13-7-3-10-18-16(13)14/h2-3,5-7,10,15H,4,8-9,11-12H2,1H3,(H,19,21)
InChIKeyHZJPFQFSHOYUPJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.32
Rot. Bonds5

About 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide

1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 53498297) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
PubChem CID53498297
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C17H21N3O3S/c1-24(22,23)20-12-4-8-15(20)17(21)19-11-9-14-6-2-5-13-7-3-10-18-16(13)14/h2-3,5-7,10,15H,4,8-9,11-12H2,1H3,(H,19,21)
InChIKeyHZJPFQFSHOYUPJ-UHFFFAOYSA-N
XLogP1.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763
(2S)-1-methylsulfonyl-N-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 118792152
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 81428574
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide
CID 56534694
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 78836589
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
(2S)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91771287
1-methylsulfonyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]piperidine-2-carboxamide
CID 60568936

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide (CID 53498297) is 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is HZJPFQFSHOYUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24(22,23)20-12-4-8-15(20)17(21)19-11-9-14-6-2-5-13-7-3-10-18-16(13)14/h2-3,5-7,10,15H,4,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 53498297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).