2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide

C12H20N2O3S — CID 96679566

IUPAC2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)CCN)c(C)c1C
InChIInChI=1S/C12H20N2O3S/c1-9-10(2)12(17-4)6-5-11(9)14(3)18(15,16)8-7-13/h5-6H,7-8,13H2,1-4H3
InChIKeyWHYPQVUVQLJBRP-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.04
Rot. Bonds5

About 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide

2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide (PubChem CID 96679566) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide
PubChem CID96679566
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)CCN)c(C)c1C
InChIInChI=1S/C12H20N2O3S/c1-9-10(2)12(17-4)6-5-11(9)14(3)18(15,16)8-7-13/h5-6H,7-8,13H2,1-4H3
InChIKeyWHYPQVUVQLJBRP-UHFFFAOYSA-N
XLogP1.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
CID 28793905
2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide
CID 28793949
3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115244001
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115256537
2-hydroxy-N-(4-methoxy-2,3-dimethylphenyl)-N-methylpropanamide
CID 115140531
3-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161427
N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62003809

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide?
The IUPAC name of 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide (CID 96679566) is 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide is COc1ccc(N(C)S(=O)(=O)CCN)c(C)c1C.
What is the InChIKey of 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide?
The InChIKey is WHYPQVUVQLJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-10(2)12(17-4)6-5-11(9)14(3)18(15,16)8-7-13/h5-6H,7-8,13H2,1-4H3.
What are the key properties of 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide?
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide is sourced from PubChem (CID 96679566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).