N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide

C11H18N2O4S — CID 112501874

IUPACN-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)ON)c(C)c1
InChIInChI=1S/C11H18N2O4S/c1-8-6-10(16-3)4-5-11(8)18(14,15)13-7-9(2)17-12/h4-6,9,13H,7,12H2,1-3H3
InChIKeyATDMZESTSYJWBL-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.56
Rot. Bonds6

About N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide

N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 112501874) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
PubChem CID112501874
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)ON)c(C)c1
InChIInChI=1S/C11H18N2O4S/c1-8-6-10(16-3)4-5-11(8)18(14,15)13-7-9(2)17-12/h4-6,9,13H,7,12H2,1-3H3
InChIKeyATDMZESTSYJWBL-UHFFFAOYSA-N
XLogP0.56
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 131702587
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95367034
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 55871022
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466241
4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide
CID 126823335
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
(4-methoxy-2-methylphenyl)sulfonylmethanamine
CID 117036101
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide (CID 112501874) is N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)ON)c(C)c1.
What is the InChIKey of N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is ATDMZESTSYJWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8-6-10(16-3)4-5-11(8)18(14,15)13-7-9(2)17-12/h4-6,9,13H,7,12H2,1-3H3.
What are the key properties of N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide?
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 112501874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).