N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C14H24N2O3S — CID 81067996

IUPACN-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C14H24N2O3S/c1-12(2)19-10-9-16(4)20(17,18)14-8-6-5-7-13(14)11-15-3/h5-8,12,15H,9-11H2,1-4H3
InChIKeyFMFOXCLJVZMCSQ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.45
Rot. Bonds8

About N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide

N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 81067996) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID81067996
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C14H24N2O3S/c1-12(2)19-10-9-16(4)20(17,18)14-8-6-5-7-13(14)11-15-3/h5-8,12,15H,9-11H2,1-4H3
InChIKeyFMFOXCLJVZMCSQ-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 81067996) is N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)N(C)CCOC(C)C.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is FMFOXCLJVZMCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-12(2)19-10-9-16(4)20(17,18)14-8-6-5-7-13(14)11-15-3/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 81067996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).