1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C18H25N3O3S — CID 134705951

IUPAC1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCc1ccc2nc(N3C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C3)cc(C)c2c1
InChIInChI=1S/C18H25N3O3S/c1-12-5-6-16-15(7-12)13(2)8-18(19-16)21-9-14(17(22)10-21)11-25(23,24)20(3)4/h5-8,14,17,22H,9-11H2,1-4H3/t14-,17+/m0/s1
InChIKeyREYYTHFFKQBGLU-WMLDXEAASA-N
MW363.48 g/mol
LogP1.54
Rot. Bonds4

About 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 134705951) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID134705951
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCc1ccc2nc(N3C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C3)cc(C)c2c1
InChIInChI=1S/C18H25N3O3S/c1-12-5-6-16-15(7-12)13(2)8-18(19-16)21-9-14(17(22)10-21)11-25(23,24)20(3)4/h5-8,14,17,22H,9-11H2,1-4H3/t14-,17+/m0/s1
InChIKeyREYYTHFFKQBGLU-WMLDXEAASA-N
XLogP1.54
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 134705951) is 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is Cc1ccc2nc(N3C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C3)cc(C)c2c1.
What is the InChIKey of 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is REYYTHFFKQBGLU-WMLDXEAASA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12-5-6-16-15(7-12)13(2)8-18(19-16)21-9-14(17(22)10-21)11-25(23,24)20(3)4/h5-8,14,17,22H,9-11H2,1-4H3/t14-,17+/m0/s1.
What are the key properties of 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 134705951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).