ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate

C16H26N3O5S+ — CID 9193715

IUPACethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[NH+](Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C1
InChIInChI=1S/C16H25N3O5S/c1-4-24-16(21)13-6-5-9-18(10-13)12-19-11-14(7-8-15(19)20)25(22,23)17(2)3/h7-8,11,13H,4-6,9-10,12H2,1-3H3/p+1/t13-/m1/s1
InChIKeyPRVNAZYWWPZCEA-CYBMUJFWSA-O
MW372.47 g/mol
LogP-1.09
Rot. Bonds6

About ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate

ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate (PubChem CID 9193715) has the molecular formula C16H26N3O5S+ and a molecular weight of 372.47 g/mol. Its IUPAC name is ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate
PubChem CID9193715
Molecular FormulaC16H26N3O5S+
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Nameethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[NH+](Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C1
InChIInChI=1S/C16H25N3O5S/c1-4-24-16(21)13-6-5-9-18(10-13)12-19-11-14(7-8-15(19)20)25(22,23)17(2)3/h7-8,11,13H,4-6,9-10,12H2,1-3H3/p+1/t13-/m1/s1
InChIKeyPRVNAZYWWPZCEA-CYBMUJFWSA-O
XLogP-1.09
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)methyl]piperidin-1-ium-4-carboxylate
CID 9281893
methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate
CID 9236283
N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide
CID 9244801
ethyl (3R)-1-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate
CID 9193743
ethyl (3S)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylate
CID 2374778
1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 7828944
N,N-dimethyl-1-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-oxopyridine-3-sulfonamide
CID 95264638
ethyl (3R)-1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8532936
ethyl (3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-carboxylate
CID 6939655
ethyl (3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxylate
CID 6939614
ethyl (3R)-1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl]piperidin-1-ium-3-carboxylate
CID 9169683
1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24530870

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate (CID 9193715) is ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate is CCOC(=O)[C@@H]1CCC[NH+](Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C1.
What is the InChIKey of ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate?
The InChIKey is PRVNAZYWWPZCEA-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H25N3O5S/c1-4-24-16(21)13-6-5-9-18(10-13)12-19-11-14(7-8-15(19)20)25(22,23)17(2)3/h7-8,11,13H,4-6,9-10,12H2,1-3H3/p+1/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate?
ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate has a molecular weight of 372.47 g/mol, XLogP of -1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate is sourced from PubChem (CID 9193715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).