N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide

C12H20N2O3S — CID 79593755

IUPACN-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(C)c1ccccc1N
InChIInChI=1S/C12H20N2O3S/c1-10(2)17-8-9-18(15,16)14(3)12-7-5-4-6-11(12)13/h4-7,10H,8-9,13H2,1-3H3
InChIKeyHXOCTHFPQJLPGX-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.46
Rot. Bonds6

About N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide

N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593755) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide
PubChem CID79593755
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(C)c1ccccc1N
InChIInChI=1S/C12H20N2O3S/c1-10(2)17-8-9-18(15,16)14(3)12-7-5-4-6-11(12)13/h4-7,10H,8-9,13H2,1-3H3
InChIKeyHXOCTHFPQJLPGX-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.46
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

2-[2-amino-N-(2-propan-2-yloxyethylsulfonyl)anilino]acetic acid
CID 79592409
1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene
CID 114814154
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593838
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
N-(2-amino-6-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 81310210
N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594432
N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
CID 79593944
N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide
CID 79592394
1-(2-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81058667
N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
CID 63856219

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide (CID 79593755) is N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(C)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is HXOCTHFPQJLPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)17-8-9-18(15,16)14(3)12-7-5-4-6-11(12)13/h4-7,10H,8-9,13H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide?
N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).