2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C12H15N3O2S2 — CID 106031858

IUPAC2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2nccs2)c1C
InChIInChI=1S/C12H15N3O2S2/c1-9-10(8-13-2)4-3-5-11(9)19(16,17)15-12-14-6-7-18-12/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeySXKKMCTYHUNEFG-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106031858) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106031858
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2nccs2)c1C
InChIInChI=1S/C12H15N3O2S2/c1-9-10(8-13-2)4-3-5-11(9)19(16,17)15-12-14-6-7-18-12/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeySXKKMCTYHUNEFG-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55044038
2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065542
2-methyl-3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063193
N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106061777
5-(methylaminomethyl)-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 114138839
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 115993249
2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030057
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 146763683
2-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87483084
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 106031858) is 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2nccs2)c1C.
What is the InChIKey of 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SXKKMCTYHUNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-10(8-13-2)4-3-5-11(9)19(16,17)15-12-14-6-7-18-12/h3-7,13H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).