7-methylsulfonyl-4,7-diazaspiro[2.5]octane

C7H14N2O2S — CID 58724172

IUPAC7-methylsulfonyl-4,7-diazaspiro[2.5]octane
SMILESCS(=O)(=O)N1CCNC2(CC2)C1
InChIInChI=1S/C7H14N2O2S/c1-12(10,11)9-5-4-8-7(6-9)2-3-7/h8H,2-6H2,1H3
InChIKeyVUNYGDMYWKXEAU-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.62
Rot. Bonds1

About 7-methylsulfonyl-4,7-diazaspiro[2.5]octane

7-methylsulfonyl-4,7-diazaspiro[2.5]octane (PubChem CID 58724172) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 7-methylsulfonyl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name7-methylsulfonyl-4,7-diazaspiro[2.5]octane
PubChem CID58724172
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name7-methylsulfonyl-4,7-diazaspiro[2.5]octane
SMILESCS(=O)(=O)N1CCNC2(CC2)C1
InChIInChI=1S/C7H14N2O2S/c1-12(10,11)9-5-4-8-7(6-9)2-3-7/h8H,2-6H2,1H3
InChIKeyVUNYGDMYWKXEAU-UHFFFAOYSA-N
XLogP-0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 7-methylsulfonyl-4,7-diazaspiro[2.5]octane (CID 58724172) is 7-methylsulfonyl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 7-methylsulfonyl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 7-methylsulfonyl-4,7-diazaspiro[2.5]octane is CS(=O)(=O)N1CCNC2(CC2)C1.
What is the InChIKey of 7-methylsulfonyl-4,7-diazaspiro[2.5]octane?
The InChIKey is VUNYGDMYWKXEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-12(10,11)9-5-4-8-7(6-9)2-3-7/h8H,2-6H2,1H3.
What are the key properties of 7-methylsulfonyl-4,7-diazaspiro[2.5]octane?
7-methylsulfonyl-4,7-diazaspiro[2.5]octane has a molecular weight of 190.27 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 58724172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).