2-sulfonylbicyclo[3.1.0]hexane

C6H8O2S — CID 139820878

IUPAC2-sulfonylbicyclo[3.1.0]hexane
SMILESO=S(=O)=C1CCC2CC12
InChIInChI=1S/C6H8O2S/c7-9(8)6-2-1-4-3-5(4)6/h4-5H,1-3H2
InChIKeyPRSPRRUBXVJDRI-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.47
Rot. Bonds

About 2-sulfonylbicyclo[3.1.0]hexane

2-sulfonylbicyclo[3.1.0]hexane (PubChem CID 139820878) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-sulfonylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-sulfonylbicyclo[3.1.0]hexane
PubChem CID139820878
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name2-sulfonylbicyclo[3.1.0]hexane
SMILESO=S(=O)=C1CCC2CC12
InChIInChI=1S/C6H8O2S/c7-9(8)6-2-1-4-3-5(4)6/h4-5H,1-3H2
InChIKeyPRSPRRUBXVJDRI-UHFFFAOYSA-N
XLogP0.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
CID 58165389
(1S,6R)-bicyclo[4.1.0]heptan-2-one
CID 10920468
(8S)-bicyclo[6.1.0]nonan-2-one
CID 90487048
bicyclo[13.1.0]hexadecan-2-one
CID 543951
3-sulfonylcyclohexane-1,2-diamine
CID 154013602
(1S,8R)-bicyclo[6.1.0]nonane-4,5-dione
CID 14201809
4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene
CID 123554248
2-sulfonylcyclopentane-1-carboxamide
CID 154127806
2-sulfonylcyclohexane-1-carboxylic acid
CID 141192020
bicyclo[3.2.0]heptan-2-one
CID 543759
(1S,3S,5R,8R)-tricyclo[6.4.0.03,5]dodecan-2-one
CID 132503865
1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one;tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 158557679

Frequently Asked Questions

What is the IUPAC name of 2-sulfonylbicyclo[3.1.0]hexane?
The IUPAC name of 2-sulfonylbicyclo[3.1.0]hexane (CID 139820878) is 2-sulfonylbicyclo[3.1.0]hexane.
What is the SMILES notation for 2-sulfonylbicyclo[3.1.0]hexane?
The canonical SMILES for 2-sulfonylbicyclo[3.1.0]hexane is O=S(=O)=C1CCC2CC12.
What is the InChIKey of 2-sulfonylbicyclo[3.1.0]hexane?
The InChIKey is PRSPRRUBXVJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c7-9(8)6-2-1-4-3-5(4)6/h4-5H,1-3H2.
What are the key properties of 2-sulfonylbicyclo[3.1.0]hexane?
2-sulfonylbicyclo[3.1.0]hexane has a molecular weight of 144.19 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonylbicyclo[3.1.0]hexane is sourced from PubChem (CID 139820878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).