3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide

C13H22N2O3S — CID 116501144

IUPAC3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NCC(C)COC)c1
InChIInChI=1S/C13H22N2O3S/c1-10(9-18-4)8-15-13-7-12(6-5-11(13)2)19(16,17)14-3/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeyBZFWDIMUKWCAFA-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.60
Rot. Bonds7

About 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide

3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide (PubChem CID 116501144) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
PubChem CID116501144
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NCC(C)COC)c1
InChIInChI=1S/C13H22N2O3S/c1-10(9-18-4)8-15-13-7-12(6-5-11(13)2)19(16,17)14-3/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeyBZFWDIMUKWCAFA-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-2-methylpropyl)-2-methyl-5-nitroaniline
CID 62588847
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
N,4-dimethyl-3-(pentylamino)benzenesulfonamide
CID 43752016
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
4-chloro-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116500771
N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 43792529
N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43752075
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide (CID 116501144) is 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(NCC(C)COC)c1.
What is the InChIKey of 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide?
The InChIKey is BZFWDIMUKWCAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(9-18-4)8-15-13-7-12(6-5-11(13)2)19(16,17)14-3/h5-7,10,14-15H,8-9H2,1-4H3.
What are the key properties of 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide?
3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 116501144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).