3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide

C14H24N2O3S — CID 71851182

IUPAC3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-11-6-7-13(10-14(11)16(3)4)20(17,18)15-12(2)8-9-19-5/h6-7,10,12,15H,8-9H2,1-5H3
InChIKeyDAGNNGMLZCIVJT-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.76
Rot. Bonds7

About 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide

3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 71851182) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide
PubChem CID71851182
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-11-6-7-13(10-14(11)16(3)4)20(17,18)15-12(2)8-9-19-5/h6-7,10,12,15H,8-9H2,1-5H3
InChIKeyDAGNNGMLZCIVJT-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide (CID 71851182) is 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide is COCCC(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is DAGNNGMLZCIVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11-6-7-13(10-14(11)16(3)4)20(17,18)15-12(2)8-9-19-5/h6-7,10,12,15H,8-9H2,1-5H3.
What are the key properties of 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide?
3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 71851182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).