1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol

C13H22N2O3S — CID 79381958

IUPAC1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C13H22N2O3S/c1-5-15(9-13(2,3)16)12-7-6-10(8-11(12)14)19(4,17)18/h6-8,16H,5,9,14H2,1-4H3
InChIKeyMOJFCJISYIKXAG-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.27
Rot. Bonds5

About 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol

1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol (PubChem CID 79381958) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
PubChem CID79381958
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C13H22N2O3S/c1-5-15(9-13(2,3)16)12-7-6-10(8-11(12)14)19(4,17)18/h6-8,16H,5,9,14H2,1-4H3
InChIKeyMOJFCJISYIKXAG-UHFFFAOYSA-N
XLogP1.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 79477025
3-amino-N-ethyl-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 82999998
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-nitrobenzenesulfonamide
CID 133313173
2-[2-amino-N-(cyanomethyl)-4-methylsulfonylanilino]acetonitrile
CID 43382624
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 79377506
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine
CID 43447936
1-N-butyl-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 43447947
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382428
1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol (CID 79381958) is 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol?
The InChIKey is MOJFCJISYIKXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-15(9-13(2,3)16)12-7-6-10(8-11(12)14)19(4,17)18/h6-8,16H,5,9,14H2,1-4H3.
What are the key properties of 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol?
1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 79381958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).