5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide

C13H22N2O3S — CID 61111850

IUPAC5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H22N2O3S/c1-5-15(11(3)9-18-4)19(16,17)13-8-12(14)7-6-10(13)2/h6-8,11H,5,9,14H2,1-4H3
InChIKeyPIOUKPZDODXRNW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.62
Rot. Bonds6

About 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide

5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 61111850) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
PubChem CID61111850
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H22N2O3S/c1-5-15(11(3)9-18-4)19(16,17)13-8-12(14)7-6-10(13)2/h6-8,11H,5,9,14H2,1-4H3
InChIKeyPIOUKPZDODXRNW-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)-2,3-dimethylbenzenesulfonamide
CID 61105109
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61111847
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide
CID 43274191
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 55139513
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 55043601

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide (CID 61111850) is 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide is CCN(C(C)COC)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is PIOUKPZDODXRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-15(11(3)9-18-4)19(16,17)13-8-12(14)7-6-10(13)2/h6-8,11H,5,9,14H2,1-4H3.
What are the key properties of 5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide?
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide 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-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61111850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).