N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide

C16H22N3O3S2+ — CID 9244801

IUPACN,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(C[NH+]2CCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C16H21N3O3S2/c1-17(2)24(21,22)13-7-8-16(20)19(11-13)12-18-9-3-5-14(18)15-6-4-10-23-15/h4,6-8,10-11,14H,3,5,9,12H2,1-2H3/p+1/t14-/m1/s1
InChIKeyBZEQXXBTGNIKRR-CQSZACIVSA-O
MW368.50 g/mol
LogP0.54
Rot. Bonds5

About N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide

N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide (PubChem CID 9244801) has the molecular formula C16H22N3O3S2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide
PubChem CID9244801
Molecular FormulaC16H22N3O3S2+
Molecular Weight368.50 g/mol
Exact Mass368.11
IUPAC NameN,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(C[NH+]2CCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C16H21N3O3S2/c1-17(2)24(21,22)13-7-8-16(20)19(11-13)12-18-9-3-5-14(18)15-6-4-10-23-15/h4,6-8,10-11,14H,3,5,9,12H2,1-2H3/p+1/t14-/m1/s1
InChIKeyBZEQXXBTGNIKRR-CQSZACIVSA-O
XLogP0.54
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one
CID 9244806
N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide
CID 9321678
N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 51103389
ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate
CID 9193715
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11928199
1-(2-thiophen-2-ylethyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9244891
6-fluoro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione
CID 9279157
N,N-dimethyl-1-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-oxopyridine-3-sulfonamide
CID 95264638
(5S)-5-methyl-5-naphthalen-1-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]imidazolidine-2,4-dione
CID 11925352
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-phenylacetamide
CID 7828941
N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide
CID 94140377
1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24530870

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide (CID 9244801) is N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(C[NH+]2CCC[C@@H]2c2cccs2)c1.
What is the InChIKey of N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is BZEQXXBTGNIKRR-CQSZACIVSA-O. The full InChI is InChI=1S/C16H21N3O3S2/c1-17(2)24(21,22)13-7-8-16(20)19(11-13)12-18-9-3-5-14(18)15-6-4-10-23-15/h4,6-8,10-11,14H,3,5,9,12H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 9244801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).