2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide

C12H20N2O3S — CID 62002110

IUPAC2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)c1cccc(OC)c1
InChIInChI=1S/C12H20N2O3S/c1-4-13-8-9-18(15,16)14(2)11-6-5-7-12(10-11)17-3/h5-7,10,13H,4,8-9H2,1-3H3
InChIKeyRMPMZTUQZSEHPR-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.07
Rot. Bonds7

About 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide

2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide (PubChem CID 62002110) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide
PubChem CID62002110
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)c1cccc(OC)c1
InChIInChI=1S/C12H20N2O3S/c1-4-13-8-9-18(15,16)14(2)11-6-5-7-12(10-11)17-3/h5-7,10,13H,4,8-9H2,1-3H3
InChIKeyRMPMZTUQZSEHPR-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[methyl(sulfamoyl)amino]benzene
CID 112573732
1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide
CID 62021691
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62430800
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 81143432
3-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-4-amine
CID 81246879
4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 105073319
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62836361
3-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyridine-2-sulfonamide
CID 103301356
N-(3-methoxyphenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62158204

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide (CID 62002110) is 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide is CCNCCS(=O)(=O)N(C)c1cccc(OC)c1.
What is the InChIKey of 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide?
The InChIKey is RMPMZTUQZSEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-13-8-9-18(15,16)14(2)11-6-5-7-12(10-11)17-3/h5-7,10,13H,4,8-9H2,1-3H3.
What are the key properties of 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide?
2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide is sourced from PubChem (CID 62002110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).