3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C13H22N2O3S — CID 104758445

IUPAC3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C13H22N2O3S/c1-9(2)18-8-7-15-19(16,17)13-10(3)5-6-12(14)11(13)4/h5-6,9,15H,7-8,14H2,1-4H3
InChIKeyMQUAOWXWFDTMEK-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.59
Rot. Bonds6

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

3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 104758445) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID104758445
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C13H22N2O3S/c1-9(2)18-8-7-15-19(16,17)13-10(3)5-6-12(14)11(13)4/h5-6,9,15H,7-8,14H2,1-4H3
InChIKeyMQUAOWXWFDTMEK-UHFFFAOYSA-N
XLogP1.59
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.59
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

3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
3-amino-2,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982653
5-amino-4-bromo-2-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 114626119
3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 93081295
3-amino-2,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64630177
3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 43258406
tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate
CID 104932785
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 104758445) is 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NCCOC(C)C.
What is the InChIKey of 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is MQUAOWXWFDTMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9(2)18-8-7-15-19(16,17)13-10(3)5-6-12(14)11(13)4/h5-6,9,15H,7-8,14H2,1-4H3.
What are the key properties of 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 104758445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).