3-benzylsulfonylazetidine

C10H13NO2S — CID 71777930

IUPAC3-benzylsulfonylazetidine
SMILESO=S(=O)(Cc1ccccc1)C1CNC1
InChIInChI=1S/C10H13NO2S/c12-14(13,10-6-11-7-10)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyGXBRRZDFAMZYIY-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.57
Rot. Bonds3

About 3-benzylsulfonylazetidine

3-benzylsulfonylazetidine (PubChem CID 71777930) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-benzylsulfonylazetidine.

Molecular Properties

Compound Name3-benzylsulfonylazetidine
PubChem CID71777930
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-benzylsulfonylazetidine
SMILESO=S(=O)(Cc1ccccc1)C1CNC1
InChIInChI=1S/C10H13NO2S/c12-14(13,10-6-11-7-10)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyGXBRRZDFAMZYIY-UHFFFAOYSA-N
XLogP0.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)methylsulfonyl]azetidine
CID 115070286
4-(azetidin-3-ylsulfonylmethyl)phenol
CID 115070287
1-benzylsulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43598103
phenylmethanesulfonic acid;phosphane
CID 173374603
cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol
CID 6922943
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1-phenylmethanesulfonamide
CID 43602919
N-benzylpyrrolidine-3-sulfonamide
CID 65420907
4-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71645638
3-(2-phenylethylsulfonylmethyl)azetidine
CID 81198425
3-[2-(4-methylphenyl)ethylsulfonyl]azetidine
CID 115070382
sodium benzyl phenylmethanesulfonate
CID 22169271
1-benzylsulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680755

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonylazetidine?
The IUPAC name of 3-benzylsulfonylazetidine (CID 71777930) is 3-benzylsulfonylazetidine.
What is the SMILES notation for 3-benzylsulfonylazetidine?
The canonical SMILES for 3-benzylsulfonylazetidine is O=S(=O)(Cc1ccccc1)C1CNC1.
What is the InChIKey of 3-benzylsulfonylazetidine?
The InChIKey is GXBRRZDFAMZYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-14(13,10-6-11-7-10)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 3-benzylsulfonylazetidine?
3-benzylsulfonylazetidine has a molecular weight of 211.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonylazetidine is sourced from PubChem (CID 71777930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).