2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide

C13H22N2O3S — CID 102704328

IUPAC2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)C(C)C)c(OC)c1
InChIInChI=1S/C13H22N2O3S/c1-10(2)15(4)19(16,17)13-7-6-11(9-14-3)8-12(13)18-5/h6-8,10,14H,9H2,1-5H3
InChIKeyZDQGJTGXAUSRQS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.44
Rot. Bonds6

About 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide

2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 102704328) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID102704328
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)C(C)C)c(OC)c1
InChIInChI=1S/C13H22N2O3S/c1-10(2)15(4)19(16,17)13-7-6-11(9-14-3)8-12(13)18-5/h6-8,10,14H,9H2,1-5H3
InChIKeyZDQGJTGXAUSRQS-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 102704372
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
4-(chloromethyl)-2-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102704201
N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704364
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 102703965
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 79187326

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide (CID 102704328) is 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)C(C)C)c(OC)c1.
What is the InChIKey of 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZDQGJTGXAUSRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)15(4)19(16,17)13-7-6-11(9-14-3)8-12(13)18-5/h6-8,10,14H,9H2,1-5H3.
What are the key properties of 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide?
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 102704328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).