2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide

C12H20N2O3S — CID 82359813

IUPAC2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide
SMILESCOc1ccc(C)cc1C(N)CS(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O3S/c1-9-5-6-12(17-4)10(7-9)11(13)8-18(15,16)14(2)3/h5-7,11H,8,13H2,1-4H3
InChIKeyJUSZRDZGMDIKKI-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds5

About 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide

2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide (PubChem CID 82359813) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide
PubChem CID82359813
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide
SMILESCOc1ccc(C)cc1C(N)CS(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O3S/c1-9-5-6-12(17-4)10(7-9)11(13)8-18(15,16)14(2)3/h5-7,11H,8,13H2,1-4H3
InChIKeyJUSZRDZGMDIKKI-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
CID 107758540
1-(2-methoxy-5-methylphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64674070
methyl 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfonylpropanoate
CID 64675155
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63693966
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide (CID 82359813) is 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide is COc1ccc(C)cc1C(N)CS(=O)(=O)N(C)C.
What is the InChIKey of 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide?
The InChIKey is JUSZRDZGMDIKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-5-6-12(17-4)10(7-9)11(13)8-18(15,16)14(2)3/h5-7,11H,8,13H2,1-4H3.
What are the key properties of 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide?
2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 82359813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).