N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide

C13H15N3O3S2 — CID 7759924

IUPACN,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)c2ccc[nH]2)nc1
InChIInChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)10-5-6-13(15-8-10)20-9-12(17)11-4-3-7-14-11/h3-8,14H,9H2,1-2H3
InChIKeyORPCNEIYGHQKOT-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.63
Rot. Bonds6

About N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide

N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide (PubChem CID 7759924) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
PubChem CID7759924
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)c2ccc[nH]2)nc1
InChIInChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)10-5-6-13(15-8-10)20-9-12(17)11-4-3-7-14-11/h3-8,14H,9H2,1-2H3
InChIKeyORPCNEIYGHQKOT-UHFFFAOYSA-N
XLogP1.63
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 7778912
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759590
N-(2-acetylphenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759654
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
CID 24571736
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 24530942
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride
CID 103341263
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 103340937
2-pyrimidin-2-ylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 8898396
N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 24571729
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 41042274
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 18775229

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide (CID 7759924) is N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(SCC(=O)c2ccc[nH]2)nc1.
What is the InChIKey of N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The InChIKey is ORPCNEIYGHQKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)10-5-6-13(15-8-10)20-9-12(17)11-4-3-7-14-11/h3-8,14H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide?
N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide has a molecular weight of 325.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 7759924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).