6-methylsulfonyl-2-azaspiro[3.3]heptane

C7H13NO2S — CID 138991410

IUPAC6-methylsulfonyl-2-azaspiro[3.3]heptane
SMILESCS(=O)(=O)C1CC2(CNC2)C1
InChIInChI=1S/C7H13NO2S/c1-11(9,10)6-2-7(3-6)4-8-5-7/h6,8H,2-5H2,1H3
InChIKeySDWZYMHFYOGPQX-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.22
Rot. Bonds1

About 6-methylsulfonyl-2-azaspiro[3.3]heptane

6-methylsulfonyl-2-azaspiro[3.3]heptane (PubChem CID 138991410) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 6-methylsulfonyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methylsulfonyl-2-azaspiro[3.3]heptane
PubChem CID138991410
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name6-methylsulfonyl-2-azaspiro[3.3]heptane
SMILESCS(=O)(=O)C1CC2(CNC2)C1
InChIInChI=1S/C7H13NO2S/c1-11(9,10)6-2-7(3-6)4-8-5-7/h6,8H,2-5H2,1H3
InChIKeySDWZYMHFYOGPQX-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-methylsulfonyl-2-azaspiro[3.3]heptane (CID 138991410) is 6-methylsulfonyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-methylsulfonyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-methylsulfonyl-2-azaspiro[3.3]heptane is CS(=O)(=O)C1CC2(CNC2)C1.
What is the InChIKey of 6-methylsulfonyl-2-azaspiro[3.3]heptane?
The InChIKey is SDWZYMHFYOGPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-11(9,10)6-2-7(3-6)4-8-5-7/h6,8H,2-5H2,1H3.
What are the key properties of 6-methylsulfonyl-2-azaspiro[3.3]heptane?
6-methylsulfonyl-2-azaspiro[3.3]heptane has a molecular weight of 175.25 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 138991410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).