4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide

C11H17N3O2S — CID 66183974

IUPAC4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)C2CNC2)cc1
InChIInChI=1S/C11H17N3O2S/c1-12-17(15,16)11-5-3-9(4-6-11)14(2)10-7-13-8-10/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyFNMIMKPPDQKHRF-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.00
Rot. Bonds4

About 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide

4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide (PubChem CID 66183974) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide
PubChem CID66183974
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)C2CNC2)cc1
InChIInChI=1S/C11H17N3O2S/c1-12-17(15,16)11-5-3-9(4-6-11)14(2)10-7-13-8-10/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyFNMIMKPPDQKHRF-UHFFFAOYSA-N
XLogP0.00
TPSA61.44 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 ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[azetidin-3-yl(methyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 66183971
4-[azetidin-3-yl(methyl)amino]-N-methyl-3-nitrobenzenesulfonamide
CID 66181841
N-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 105450394
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
CID 63301799
2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid
CID 60838327
N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide
CID 62348367
4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 63766633
2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
CID 66215341
4-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-methylbenzenesulfonamide
CID 66244861
4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 114952048

Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide (CID 66183974) is 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N(C)C2CNC2)cc1.
What is the InChIKey of 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is FNMIMKPPDQKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-12-17(15,16)11-5-3-9(4-6-11)14(2)10-7-13-8-10/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide?
4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 66183974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).