2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide

C11H17N3O2S — CID 63760577

IUPAC2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N1CC(N)C1
InChIInChI=1S/C11H17N3O2S/c1-2-13-17(15,16)11-6-4-3-5-10(11)14-7-9(12)8-14/h3-6,9,13H,2,7-8,12H2,1H3
InChIKeyDQTBTLBLCIBJAQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.13
Rot. Bonds4

About 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide

2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide (PubChem CID 63760577) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
PubChem CID63760577
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N1CC(N)C1
InChIInChI=1S/C11H17N3O2S/c1-2-13-17(15,16)11-6-4-3-5-10(11)14-7-9(12)8-14/h3-6,9,13H,2,7-8,12H2,1H3
InChIKeyDQTBTLBLCIBJAQ-UHFFFAOYSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
CID 102986774
N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
CID 61146535
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-ethylbenzenesulfonamide
CID 102683641
N-ethyl-2-iodobenzenesulfonamide
CID 626580
2-(3-aminopyrazol-1-yl)-N-ethylbenzenesulfonamide
CID 61175854
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
CID 63767418
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 115300944
1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine
CID 103577492
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-(3-aminocyclopentyl)oxy-N-ethylbenzenesulfonamide
CID 79465618

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide (CID 63760577) is 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1N1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide?
The InChIKey is DQTBTLBLCIBJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-13-17(15,16)11-6-4-3-5-10(11)14-7-9(12)8-14/h3-6,9,13H,2,7-8,12H2,1H3.
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide?
2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 63760577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).