1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

C13H22N2O3S — CID 79381244

IUPAC1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H22N2O3S/c1-4-15(10-13(2,3)16)19(17,18)9-11-7-5-6-8-12(11)14/h5-8,16H,4,9-10,14H2,1-3H3
InChIKeyCPEXCBVYKPRCRI-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.19
Rot. Bonds6

About 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (PubChem CID 79381244) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
PubChem CID79381244
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H22N2O3S/c1-4-15(10-13(2,3)16)19(17,18)9-11-7-5-6-8-12(11)14/h5-8,16H,4,9-10,14H2,1-3H3
InChIKeyCPEXCBVYKPRCRI-UHFFFAOYSA-N
XLogP1.19
TPSA83.63 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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79380463
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 79382041
3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382428
1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
CID 62020358
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686932
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide
CID 62021085
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164
2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
CID 62020901
2-ethylaniline;sulfuric acid
CID 67820112
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (CID 79381244) is 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The InChIKey is CPEXCBVYKPRCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-15(10-13(2,3)16)19(17,18)9-11-7-5-6-8-12(11)14/h5-8,16H,4,9-10,14H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 79381244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).