1-(azetidin-3-yl)-N-phenylmethanesulfonamide

C10H14N2O2S — CID 115035680

IUPAC1-(azetidin-3-yl)-N-phenylmethanesulfonamide
SMILESO=S(=O)(CC1CNC1)Nc1ccccc1
InChIInChI=1S/C10H14N2O2S/c13-15(14,8-9-6-11-7-9)12-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2
InChIKeySLAFZVAFTIUEPB-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.65
Rot. Bonds4

About 1-(azetidin-3-yl)-N-phenylmethanesulfonamide

1-(azetidin-3-yl)-N-phenylmethanesulfonamide (PubChem CID 115035680) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-phenylmethanesulfonamide
PubChem CID115035680
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(azetidin-3-yl)-N-phenylmethanesulfonamide
SMILESO=S(=O)(CC1CNC1)Nc1ccccc1
InChIInChI=1S/C10H14N2O2S/c13-15(14,8-9-6-11-7-9)12-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2
InChIKeySLAFZVAFTIUEPB-UHFFFAOYSA-N
XLogP0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
3-(2-phenylethylsulfonylmethyl)azetidine
CID 81198425
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-1-piperidin-4-ylmethanesulfonamide
CID 167794123
3-[4-(cyclopropylmethylsulfonylamino)phenyl]prop-2-enoic acid
CID 77052404
N-[4-(bromomethyl)phenyl]-1-cyclopropylmethanesulfonamide
CID 114296744
3-(3-phenoxypropylsulfonylmethyl)azetidine
CID 81198246
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide
CID 141118156
N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
CID 54974058
3-[(2-methylphenyl)methylsulfonylmethyl]azetidine
CID 81197445

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-phenylmethanesulfonamide?
The IUPAC name of 1-(azetidin-3-yl)-N-phenylmethanesulfonamide (CID 115035680) is 1-(azetidin-3-yl)-N-phenylmethanesulfonamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-phenylmethanesulfonamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-phenylmethanesulfonamide is O=S(=O)(CC1CNC1)Nc1ccccc1.
What is the InChIKey of 1-(azetidin-3-yl)-N-phenylmethanesulfonamide?
The InChIKey is SLAFZVAFTIUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-15(14,8-9-6-11-7-9)12-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2.
What are the key properties of 1-(azetidin-3-yl)-N-phenylmethanesulfonamide?
1-(azetidin-3-yl)-N-phenylmethanesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 115035680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).