2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide

C11H18N2O3S — CID 39359758

IUPAC2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)CCN)c1
InChIInChI=1S/C11H18N2O3S/c1-13(17(14,15)7-6-12)9-10-4-3-5-11(8-10)16-2/h3-5,8H,6-7,9,12H2,1-2H3
InChIKeyBKLXTOTXTTVFAR-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.42
Rot. Bonds6

About 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide

2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide (PubChem CID 39359758) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
PubChem CID39359758
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)CCN)c1
InChIInChI=1S/C11H18N2O3S/c1-13(17(14,15)7-6-12)9-10-4-3-5-11(8-10)16-2/h3-5,8H,6-7,9,12H2,1-2H3
InChIKeyBKLXTOTXTTVFAR-UHFFFAOYSA-N
XLogP0.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
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3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61418218
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55014212
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
N-[[3-(aminomethyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175265
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 79027963
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide?
The IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide (CID 39359758) is 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide is COc1cccc(CN(C)S(=O)(=O)CCN)c1.
What is the InChIKey of 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide?
The InChIKey is BKLXTOTXTTVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(17(14,15)7-6-12)9-10-4-3-5-11(8-10)16-2/h3-5,8H,6-7,9,12H2,1-2H3.
What are the key properties of 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide?
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 39359758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).