5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one

C7H12N2O3S — CID 45273975

IUPAC5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCS(=O)(=O)N1CCCC12CNC2=O
InChIInChI=1S/C7H12N2O3S/c1-13(11,12)9-4-2-3-7(9)5-8-6(7)10/h2-5H2,1H3,(H,8,10)
InChIKeyXGMQWPUOQZEOPP-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.09
Rot. Bonds1

About 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one

5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 45273975) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
PubChem CID45273975
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCS(=O)(=O)N1CCCC12CNC2=O
InChIInChI=1S/C7H12N2O3S/c1-13(11,12)9-4-2-3-7(9)5-8-6(7)10/h2-5H2,1H3,(H,8,10)
InChIKeyXGMQWPUOQZEOPP-UHFFFAOYSA-N
XLogP-1.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one (CID 45273975) is 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one is CS(=O)(=O)N1CCCC12CNC2=O.
What is the InChIKey of 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is XGMQWPUOQZEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-13(11,12)9-4-2-3-7(9)5-8-6(7)10/h2-5H2,1H3,(H,8,10).
What are the key properties of 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one?
5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 204.25 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 45273975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).