4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide

C14H23N3O2S — CID 66185670

IUPAC4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(c1ccc(S(=O)(=O)N(C)C)cc1)N(C)C1CNC1
InChIInChI=1S/C14H23N3O2S/c1-11(17(4)13-9-15-10-13)12-5-7-14(8-6-12)20(18,19)16(2)3/h5-8,11,13,15H,9-10H2,1-4H3
InChIKeyCOJVUTMAEFSWMD-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.90
Rot. Bonds5

About 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide

4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 66185670) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID66185670
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(c1ccc(S(=O)(=O)N(C)C)cc1)N(C)C1CNC1
InChIInChI=1S/C14H23N3O2S/c1-11(17(4)13-9-15-10-13)12-5-7-14(8-6-12)20(18,19)16(2)3/h5-8,11,13,15H,9-10H2,1-4H3
InChIKeyCOJVUTMAEFSWMD-UHFFFAOYSA-N
XLogP0.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 66185670) is 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide is CC(c1ccc(S(=O)(=O)N(C)C)cc1)N(C)C1CNC1.
What is the InChIKey of 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is COJVUTMAEFSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(17(4)13-9-15-10-13)12-5-7-14(8-6-12)20(18,19)16(2)3/h5-8,11,13,15H,9-10H2,1-4H3.
What are the key properties of 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[azetidin-3-yl(methyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 66185670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).