5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

C13H22N2O3S — CID 82948618

IUPAC5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H22N2O3S/c1-10(2)15(7-8-18-4)19(16,17)13-9-12(14)6-5-11(13)3/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyUUHIPSMPOORDLS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.62
Rot. Bonds6

About 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 82948618) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID82948618
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H22N2O3S/c1-10(2)15(7-8-18-4)19(16,17)13-9-12(14)6-5-11(13)3/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyUUHIPSMPOORDLS-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 102931550
4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106997085
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 61109788
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82949208
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
2-bromo-5-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 114363699
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 82948618) is 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide is COCCN(C(C)C)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UUHIPSMPOORDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)15(7-8-18-4)19(16,17)13-9-12(14)6-5-11(13)3/h5-6,9-10H,7-8,14H2,1-4H3.
What are the key properties of 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82948618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).