(5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one

C7H11NO2S — CID 98617522

IUPAC(5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESCO[C@@]1(C)C(=O)N2CCS[C@@H]21
InChIInChI=1S/C7H11NO2S/c1-7(10-2)5(9)8-3-4-11-6(7)8/h6H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyYRXHCFXAEIYZJC-RQJHMYQMSA-N
MW173.24 g/mol
LogP0.31
Rot. Bonds1

About (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one

(5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 98617522) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID98617522
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name(5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESCO[C@@]1(C)C(=O)N2CCS[C@@H]21
InChIInChI=1S/C7H11NO2S/c1-7(10-2)5(9)8-3-4-11-6(7)8/h6H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyYRXHCFXAEIYZJC-RQJHMYQMSA-N
XLogP0.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 98617522) is (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one is CO[C@@]1(C)C(=O)N2CCS[C@@H]21.
What is the InChIKey of (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is YRXHCFXAEIYZJC-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-7(10-2)5(9)8-3-4-11-6(7)8/h6H,3-4H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
(5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 173.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-methoxy-6-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 98617522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).