N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide

C13H21N3O4S — CID 119058700

IUPACN-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCS(=O)(=O)N(C)C)c(=O)n(C)c1C
InChIInChI=1S/C13H21N3O4S/c1-9-8-11(13(18)16(5)10(9)2)12(17)14-6-7-21(19,20)15(3)4/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeySEYBAXLVKCEBIT-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.38
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 119058700) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID119058700
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCS(=O)(=O)N(C)C)c(=O)n(C)c1C
InChIInChI=1S/C13H21N3O4S/c1-9-8-11(13(18)16(5)10(9)2)12(17)14-6-7-21(19,20)15(3)4/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeySEYBAXLVKCEBIT-UHFFFAOYSA-N
XLogP-0.38
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
CID 119062665
N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
1,5,6-trimethyl-2-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-3-carboxamide
CID 74231255
2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide
CID 106339469
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
CID 106339701
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
CID 106340952
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxybenzamide
CID 106339696
N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide
CID 46993368
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide (CID 119058700) is N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C(=O)NCCS(=O)(=O)N(C)C)c(=O)n(C)c1C.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is SEYBAXLVKCEBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-8-11(13(18)16(5)10(9)2)12(17)14-6-7-21(19,20)15(3)4/h8H,6-7H2,1-5H3,(H,14,17).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 119058700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).