3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide

C12H19N3O3S — CID 65245123

IUPAC3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)N2CC(N)C2)c1
InChIInChI=1S/C12H19N3O3S/c1-14(19(16,17)15-8-11(13)9-15)7-10-4-3-5-12(6-10)18-2/h3-6,11H,7-9,13H2,1-2H3
InChIKeyBRZHNNIOOJJBSW-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.01
Rot. Bonds5

About 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide

3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide (PubChem CID 65245123) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
PubChem CID65245123
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)N2CC(N)C2)c1
InChIInChI=1S/C12H19N3O3S/c1-14(19(16,17)15-8-11(13)9-15)7-10-4-3-5-12(6-10)18-2/h3-6,11H,7-9,13H2,1-2H3
InChIKeyBRZHNNIOOJJBSW-UHFFFAOYSA-N
XLogP0.01
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 75386810
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115754479

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide?
The IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide (CID 65245123) is 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide?
The canonical SMILES for 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide is COc1cccc(CN(C)S(=O)(=O)N2CC(N)C2)c1.
What is the InChIKey of 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide?
The InChIKey is BRZHNNIOOJJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-14(19(16,17)15-8-11(13)9-15)7-10-4-3-5-12(6-10)18-2/h3-6,11H,7-9,13H2,1-2H3.
What are the key properties of 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide?
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide is sourced from PubChem (CID 65245123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).