N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine

C16H21N3O2S — CID 124684923

IUPACN-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1
InChIInChI=1S/C16H21N3O2S/c1-12-8-14-4-3-5-15(16(14)18-9-12)22(20,21)19-7-6-13(11-19)10-17-2/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPJBUJUIEBVYJPX-CYBMUJFWSA-N
MW319.43 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine

N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 124684923) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID124684923
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1
InChIInChI=1S/C16H21N3O2S/c1-12-8-14-4-3-5-15(16(14)18-9-12)22(20,21)19-7-6-13(11-19)10-17-2/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPJBUJUIEBVYJPX-CYBMUJFWSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine (CID 124684923) is N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine is CNC[C@H]1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1.
What is the InChIKey of N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is PJBUJUIEBVYJPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-8-14-4-3-5-15(16(14)18-9-12)22(20,21)19-7-6-13(11-19)10-17-2/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine?
N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 319.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 124684923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).