(5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one

C8H13NO3S — CID 99989963

IUPAC(5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one
SMILESCCS(=O)(=O)[C@H]1C(=O)N2CCC[C@H]12
InChIInChI=1S/C8H13NO3S/c1-2-13(11,12)7-6-4-3-5-9(6)8(7)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyUWARWQQYNGXMQY-RNFRBKRXSA-N
MW203.26 g/mol
LogP-0.21
Rot. Bonds2

About (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one

(5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 99989963) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID99989963
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name(5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one
SMILESCCS(=O)(=O)[C@H]1C(=O)N2CCC[C@H]12
InChIInChI=1S/C8H13NO3S/c1-2-13(11,12)7-6-4-3-5-9(6)8(7)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyUWARWQQYNGXMQY-RNFRBKRXSA-N
XLogP-0.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58901963
CID 58901963

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one (CID 99989963) is (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one is CCS(=O)(=O)[C@H]1C(=O)N2CCC[C@H]12.
What is the InChIKey of (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is UWARWQQYNGXMQY-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-13(11,12)7-6-4-3-5-9(6)8(7)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one?
(5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 203.26 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-ethylsulfonyl-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 99989963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).