2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide

C13H22N2O3S — CID 106334908

IUPAC2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide
SMILESCOCC(NCCS(=O)(=O)N(C)C)c1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-15(2)19(16,17)10-9-14-13(11-18-3)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyHCMICBDDEHJHCP-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.86
Rot. Bonds8

About 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide

2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106334908) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106334908
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide
SMILESCOCC(NCCS(=O)(=O)N(C)C)c1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-15(2)19(16,17)10-9-14-13(11-18-3)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyHCMICBDDEHJHCP-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
CID 107234098
N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide
CID 95125733
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103463479
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
CID 106209643

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide (CID 106334908) is 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide is COCC(NCCS(=O)(=O)N(C)C)c1ccccc1.
What is the InChIKey of 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is HCMICBDDEHJHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-15(2)19(16,17)10-9-14-13(11-18-3)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3.
What are the key properties of 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide?
2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106334908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).