1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C17H25N3O4S — CID 155508588

IUPAC1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@@H]1O
InChIInChI=1S/C17H25N3O4S/c1-19(2)25(23,24)11-13-9-20(10-15(13)21)17(22)14-7-3-5-12-6-4-8-18-16(12)14/h3,5,7,13,15,18,21H,4,6,8-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyGUEYPFFXBPIBJX-ZFWWWQNUSA-N
MW367.47 g/mol
LogP0.37
Rot. Bonds4

About 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 155508588) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID155508588
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@@H]1O
InChIInChI=1S/C17H25N3O4S/c1-19(2)25(23,24)11-13-9-20(10-15(13)21)17(22)14-7-3-5-12-6-4-8-18-16(12)14/h3,5,7,13,15,18,21H,4,6,8-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyGUEYPFFXBPIBJX-ZFWWWQNUSA-N
XLogP0.37
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4S)-4-hydroxy-1-[2-(1H-1,2,4-triazol-5-yl)benzoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135095874
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213645
3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
CID 63603518
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 114797753
[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 106836042
[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 133112239
1-[(3R,4S)-4-hydroxy-1-(2,4,5-trifluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134706591
(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213479
1-[(3R,4S)-1-(4-fluoro-2-methylbenzoyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705363
(3aS,6aR)-5-ethyl-6-oxo-2-(1,2,3,4-tetrahydroquinoline-8-carbonyl)-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133133742
N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 55047703
1-[(3R,4S)-4-hydroxy-1-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702776

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 155508588) is 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@@H]1O.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is GUEYPFFXBPIBJX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-19(2)25(23,24)11-13-9-20(10-15(13)21)17(22)14-7-3-5-12-6-4-8-18-16(12)14/h3,5,7,13,15,18,21H,4,6,8-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 155508588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).