1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C17H27N3O5S — CID 155502095

IUPAC1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCCc1c(C)cc(C(=O)N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)c(=O)n1C
InChIInChI=1S/C17H27N3O5S/c1-6-14-11(2)7-13(16(22)19(14)5)17(23)20-8-12(15(21)9-20)10-26(24,25)18(3)4/h7,12,15,21H,6,8-10H2,1-5H3/t12-,15+/m0/s1
InChIKeyDSEMRLLSJYSOJU-SWLSCSKDSA-N
MW385.49 g/mol
LogP-0.42
Rot. Bonds5

About 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 155502095) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID155502095
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCCc1c(C)cc(C(=O)N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)c(=O)n1C
InChIInChI=1S/C17H27N3O5S/c1-6-14-11(2)7-13(16(22)19(14)5)17(23)20-8-12(15(21)9-20)10-26(24,25)18(3)4/h7,12,15,21H,6,8-10H2,1-5H3/t12-,15+/m0/s1
InChIKeyDSEMRLLSJYSOJU-SWLSCSKDSA-N
XLogP-0.42
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one;hydrochloride
CID 154899380
1-[(3R,4S)-1-(4-fluoro-2-methylbenzoyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705363
1-[(3R,4S)-4-hydroxy-1-(2,4,5-trifluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134706591
1-[(3R,4R)-1-(4-chloro-3-methylbenzoyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134711471
1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56867986
6-ethyl-3-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-1,5-dimethylpyridin-2-one
CID 72888481
3-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 155494033
1-[(3R,4R)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135113927
6-ethyl-3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1,5-dimethylpyridin-2-one
CID 164697429
1-[(3R,4S)-4-hydroxy-1-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702776
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-6-ethyl-1,5-dimethylpyridin-2-one
CID 56902271
1-[(3R,4R)-1-(4-chloro-1-methylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134714311

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 155502095) is 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is CCc1c(C)cc(C(=O)N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)c(=O)n1C.
What is the InChIKey of 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is DSEMRLLSJYSOJU-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-6-14-11(2)7-13(16(22)19(14)5)17(23)20-8-12(15(21)9-20)10-26(24,25)18(3)4/h7,12,15,21H,6,8-10H2,1-5H3/t12-,15+/m0/s1.
What are the key properties of 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 155502095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).