5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one

C18H24N3O3S2+ — CID 9244806

IUPAC5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1C[NH+]1CCC[C@H]1c1cccs1
InChIInChI=1S/C18H23N3O3S2/c22-18-8-7-15(26(23,24)21-10-1-2-11-21)13-20(18)14-19-9-3-5-16(19)17-6-4-12-25-17/h4,6-8,12-13,16H,1-3,5,9-11,14H2/p+1/t16-/m0/s1
InChIKeyQINXDNQAGMWBJU-INIZCTEOSA-O
MW394.54 g/mol
LogP1.07
Rot. Bonds5

About 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one

5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one (PubChem CID 9244806) has the molecular formula C18H24N3O3S2+ and a molecular weight of 394.54 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one
PubChem CID9244806
Molecular FormulaC18H24N3O3S2+
Molecular Weight394.54 g/mol
Exact Mass394.13
IUPAC Name5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1C[NH+]1CCC[C@H]1c1cccs1
InChIInChI=1S/C18H23N3O3S2/c22-18-8-7-15(26(23,24)21-10-1-2-11-21)13-20(18)14-19-9-3-5-16(19)17-6-4-12-25-17/h4,6-8,12-13,16H,1-3,5,9-11,14H2/p+1/t16-/m0/s1
InChIKeyQINXDNQAGMWBJU-INIZCTEOSA-O
XLogP1.07
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide
CID 9244801
1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9193543
ethyl 1-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)methyl]piperidin-1-ium-4-carboxylate
CID 9281893
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 24571411
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 166239396
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-[(R)-phenyl(thiophen-2-yl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11929318
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9183833
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one (CID 9244806) is 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)cn1C[NH+]1CCC[C@H]1c1cccs1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one?
The InChIKey is QINXDNQAGMWBJU-INIZCTEOSA-O. The full InChI is InChI=1S/C18H23N3O3S2/c22-18-8-7-15(26(23,24)21-10-1-2-11-21)13-20(18)14-19-9-3-5-16(19)17-6-4-12-25-17/h4,6-8,12-13,16H,1-3,5,9-11,14H2/p+1/t16-/m0/s1.
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one?
5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one has a molecular weight of 394.54 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 9244806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).