1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine

C14H17N3O2S — CID 104773970

IUPAC1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC2N)c2cccnc12
InChIInChI=1S/C14H17N3O2S/c1-10-6-7-12(11-4-2-8-16-14(10)11)20(18,19)17-9-3-5-13(17)15/h2,4,6-8,13H,3,5,9,15H2,1H3
InChIKeyYADTXLPFXLJRRL-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.61
Rot. Bonds2

About 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine

1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine (PubChem CID 104773970) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine.

Molecular Properties

Compound Name1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine
PubChem CID104773970
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC2N)c2cccnc12
InChIInChI=1S/C14H17N3O2S/c1-10-6-7-12(11-4-2-8-16-14(10)11)20(18,19)17-9-3-5-13(17)15/h2,4,6-8,13H,3,5,9,15H2,1H3
InChIKeyYADTXLPFXLJRRL-UHFFFAOYSA-N
XLogP1.61
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
CID 104774152
[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963849
(3R,9aS)-3-methyl-2-(8-methylquinolin-5-yl)sulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124840984
(3S,9aS)-3-methyl-2-(8-methylquinolin-5-yl)sulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97214451
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline
CID 120764072
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
5-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]-1H-pyrazol-4-amine
CID 167964581
3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992673
[5-(8-methylquinolin-5-yl)sulfonyl-5-azaspiro[3.4]octan-7-yl]methanamine
CID 154871289
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711615

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine?
The IUPAC name of 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine (CID 104773970) is 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine.
What is the SMILES notation for 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine?
The canonical SMILES for 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine is Cc1ccc(S(=O)(=O)N2CCCC2N)c2cccnc12.
What is the InChIKey of 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine?
The InChIKey is YADTXLPFXLJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-6-7-12(11-4-2-8-16-14(10)11)20(18,19)17-9-3-5-13(17)15/h2,4,6-8,13H,3,5,9,15H2,1H3.
What are the key properties of 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine?
1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine is sourced from PubChem (CID 104773970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).