2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

C14H17N5O3S — CID 14066324

IUPAC2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCn3c2nc(N(C)C)nc3=O)cc1
InChIInChI=1S/C14H17N5O3S/c1-10-4-6-11(7-5-10)23(21,22)19-9-8-18-13(19)15-12(17(2)3)16-14(18)20/h4-7H,8-9H2,1-3H3
InChIKeyGGDKBGVWXCYDLX-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.22
Rot. Bonds3

About 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 14066324) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID14066324
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCn3c2nc(N(C)C)nc3=O)cc1
InChIInChI=1S/C14H17N5O3S/c1-10-4-6-11(7-5-10)23(21,22)19-9-8-18-13(19)15-12(17(2)3)16-14(18)20/h4-7H,8-9H2,1-3H3
InChIKeyGGDKBGVWXCYDLX-UHFFFAOYSA-N
XLogP0.22
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
7,10,20,23-tetrakis-(4-methylphenyl)sulfonyl-7,10,20,23-tetrazapentacyclo[22.2.2.23,6.211,14.216,19]tetratriaconta-1(26),3(34),4,6(33),11(32),12,14(31),16,18,24,27,29-dodecaene
CID 177484771
1-(4-methylphenyl)sulfonyl-3-(5-methyl-1,3-thiazol-2-yl)imidazolidin-2-one
CID 11099798
1,2,3-tris-(4-methylphenyl)sulfonyltriazonane
CID 19101087
3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008
4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
3,6-bis-(4-methylphenyl)sulfonyl-3,6,12-triazabicyclo[6.3.1]dodeca-1(12),8,10-triene
CID 15069694
1-(2-bromophenyl)sulfonyl-3-(4-methylphenyl)sulfonylimidazolidin-2-one
CID 44602022
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione
CID 146022828
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
1-(4-methylphenyl)sulfonyl-2-propan-2-ylideneazetidine
CID 101424960
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122254225

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (CID 14066324) is 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is Cc1ccc(S(=O)(=O)N2CCn3c2nc(N(C)C)nc3=O)cc1.
What is the InChIKey of 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is GGDKBGVWXCYDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-10-4-6-11(7-5-10)23(21,22)19-9-8-18-13(19)15-12(17(2)3)16-14(18)20/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 335.39 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(4-methylphenyl)sulfonyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 14066324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).