6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide

C14H24N2O3S — CID 82949733

IUPAC6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C14H24N2O3S/c1-4-9-19-10-5-8-16-20(17,18)14-12(3)11(2)6-7-13(14)15/h6-7,16H,4-5,8-10,15H2,1-3H3
InChIKeySTNJYZQZUCZWSP-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.98
Rot. Bonds8

About 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 82949733) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID82949733
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C14H24N2O3S/c1-4-9-19-10-5-8-16-20(17,18)14-12(3)11(2)6-7-13(14)15/h6-7,16H,4-5,8-10,15H2,1-3H3
InChIKeySTNJYZQZUCZWSP-UHFFFAOYSA-N
XLogP1.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2-amino-N-[3-(2-hydroxyethoxy)propyl]-3,6-dimethylbenzenesulfonamide
CID 106308656
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62844834
3-amino-N-(3-methoxypropyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503739
4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide
CID 106074131
3-amino-N-[3-(2-hydroxyethoxy)propyl]-4,5-dimethylbenzenesulfonamide
CID 106308624

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide (CID 82949733) is 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is STNJYZQZUCZWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-9-19-10-5-8-16-20(17,18)14-12(3)11(2)6-7-13(14)15/h6-7,16H,4-5,8-10,15H2,1-3H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 82949733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).