6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide

C17H24N4O2S — CID 133299226

IUPAC6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(c2ccc(C)cc2)N(C)C)nc1
InChIInChI=1S/C17H24N4O2S/c1-13-5-7-14(8-6-13)16(21(3)4)12-20-17-10-9-15(11-19-17)24(22,23)18-2/h5-11,16,18H,12H2,1-4H3,(H,19,20)
InChIKeyQNRUIGYJFHHMBV-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.01
Rot. Bonds7

About 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide

6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide (PubChem CID 133299226) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
PubChem CID133299226
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(c2ccc(C)cc2)N(C)C)nc1
InChIInChI=1S/C17H24N4O2S/c1-13-5-7-14(8-6-13)16(21(3)4)12-20-17-10-9-15(11-19-17)24(22,23)18-2/h5-11,16,18H,12H2,1-4H3,(H,19,20)
InChIKeyQNRUIGYJFHHMBV-UHFFFAOYSA-N
XLogP2.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
CID 133375806
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133299268
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 60602522
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
N-methyl-6-[methyl(2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133304050
N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
6-(cyclopent-3-en-1-ylamino)-N-methylpyridine-3-sulfonamide
CID 133362208
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide (CID 133299226) is 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCC(c2ccc(C)cc2)N(C)C)nc1.
What is the InChIKey of 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide?
The InChIKey is QNRUIGYJFHHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-5-7-14(8-6-13)16(21(3)4)12-20-17-10-9-15(11-19-17)24(22,23)18-2/h5-11,16,18H,12H2,1-4H3,(H,19,20).
What are the key properties of 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide?
6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133299226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).