N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine

C13H21N3O3S — CID 66188280

IUPACN-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
SMILESCOc1cccc(CN(C)S(=O)(=O)N(C)C2CNC2)c1
InChIInChI=1S/C13H21N3O3S/c1-15(10-11-5-4-6-13(7-11)19-3)20(17,18)16(2)12-8-14-9-12/h4-7,12,14H,8-10H2,1-3H3
InChIKeyFVDWZRJHNCLXCZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.28
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine

N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine (PubChem CID 66188280) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
PubChem CID66188280
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
SMILESCOc1cccc(CN(C)S(=O)(=O)N(C)C2CNC2)c1
InChIInChI=1S/C13H21N3O3S/c1-15(10-11-5-4-6-13(7-11)19-3)20(17,18)16(2)12-8-14-9-12/h4-7,12,14H,8-10H2,1-3H3
InChIKeyFVDWZRJHNCLXCZ-UHFFFAOYSA-N
XLogP0.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978713
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 43596031
1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723984
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine (CID 66188280) is N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine is COc1cccc(CN(C)S(=O)(=O)N(C)C2CNC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine?
The InChIKey is FVDWZRJHNCLXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15(10-11-5-4-6-13(7-11)19-3)20(17,18)16(2)12-8-14-9-12/h4-7,12,14H,8-10H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine?
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine has a molecular weight of 299.40 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66188280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).