2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide

C13H22N2O3S — CID 81053826

IUPAC2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C13H22N2O3S/c1-5-18-7-6-15(4)19(16,17)13-9-11(3)10(2)8-12(13)14/h8-9H,5-7,14H2,1-4H3
InChIKeyMSMLXOLVHWKCDX-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.54
Rot. Bonds6

About 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide

2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide (PubChem CID 81053826) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
PubChem CID81053826
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C13H22N2O3S/c1-5-18-7-6-15(4)19(16,17)13-9-11(3)10(2)8-12(13)14/h8-9H,5-7,14H2,1-4H3
InChIKeyMSMLXOLVHWKCDX-UHFFFAOYSA-N
XLogP1.54
TPSA72.63 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 ≤ 51.54
H-Bond Donors ≤ 51
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-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882
5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide
CID 81067392
2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide
CID 114276936
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81056476
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
4-amino-2,6-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053036
2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
CID 60985638
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide (CID 81053826) is 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide?
The InChIKey is MSMLXOLVHWKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-18-7-6-15(4)19(16,17)13-9-11(3)10(2)8-12(13)14/h8-9H,5-7,14H2,1-4H3.
What are the key properties of 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide?
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 81053826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).