3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane

C11H13NO2S — CID 77427931

IUPAC3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
SMILESO=S(=O)(c1ccccc1)N1CC2CC2C1
InChIInChI=1S/C11H13NO2S/c13-15(14,11-4-2-1-3-5-11)12-7-9-6-10(9)8-12/h1-5,9-10H,6-8H2
InChIKeyZEXZDEJCGWCZHR-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.33
Rot. Bonds2

About 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane

3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 77427931) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
PubChem CID77427931
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
SMILESO=S(=O)(c1ccccc1)N1CC2CC2C1
InChIInChI=1S/C11H13NO2S/c13-15(14,11-4-2-1-3-5-11)12-7-9-6-10(9)8-12/h1-5,9-10H,6-8H2
InChIKeyZEXZDEJCGWCZHR-UHFFFAOYSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfonyl)-3-fluoroazetidine
CID 141433694
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
3-(benzenesulfonyl)-3,7-diazabicyclo[3.3.1]nonane
CID 19044688
(1S,2S,4S,5S)-3-(benzenesulfonyl)-3-azatricyclo[3.2.1.02,4]octane
CID 124920852
(3aR,6aR)-5-(benzenesulfonyl)-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401958
(3aS,6aR)-5-(benzenesulfonyl)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401920
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374
(3aS,6aS)-5-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401946
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
CID 67536684

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane (CID 77427931) is 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane is O=S(=O)(c1ccccc1)N1CC2CC2C1.
What is the InChIKey of 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is ZEXZDEJCGWCZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-15(14,11-4-2-1-3-5-11)12-7-9-6-10(9)8-12/h1-5,9-10H,6-8H2.
What are the key properties of 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane?
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 223.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 77427931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).