1-benzylazetidine-3-sulfonamide

C10H14N2O2S — CID 137403810

IUPAC1-benzylazetidine-3-sulfonamide
SMILESNS(=O)(=O)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C10H14N2O2S/c11-15(13,14)10-7-12(8-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,11,13,14)
InChIKeyDHOMMJSACCFWQE-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.16
Rot. Bonds3

About 1-benzylazetidine-3-sulfonamide

1-benzylazetidine-3-sulfonamide (PubChem CID 137403810) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-benzylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-benzylazetidine-3-sulfonamide
PubChem CID137403810
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-benzylazetidine-3-sulfonamide
SMILESNS(=O)(=O)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C10H14N2O2S/c11-15(13,14)10-7-12(8-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,11,13,14)
InChIKeyDHOMMJSACCFWQE-UHFFFAOYSA-N
XLogP0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 131227646
(3aR,6aR)-2-benzyl-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 129355444
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
CID 47003605
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357

Frequently Asked Questions

What is the IUPAC name of 1-benzylazetidine-3-sulfonamide?
The IUPAC name of 1-benzylazetidine-3-sulfonamide (CID 137403810) is 1-benzylazetidine-3-sulfonamide.
What is the SMILES notation for 1-benzylazetidine-3-sulfonamide?
The canonical SMILES for 1-benzylazetidine-3-sulfonamide is NS(=O)(=O)C1CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzylazetidine-3-sulfonamide?
The InChIKey is DHOMMJSACCFWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-15(13,14)10-7-12(8-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,11,13,14).
What are the key properties of 1-benzylazetidine-3-sulfonamide?
1-benzylazetidine-3-sulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylazetidine-3-sulfonamide is sourced from PubChem (CID 137403810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).