10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane

C12H23NO2S — CID 79311040

IUPAC10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane
SMILESCCC1CNCCC12CCCC2S(C)(=O)=O
InChIInChI=1S/C12H23NO2S/c1-3-10-9-13-8-7-12(10)6-4-5-11(12)16(2,14)15/h10-11,13H,3-9H2,1-2H3
InChIKeyMLYVNHIQIMENRF-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds2

About 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane

10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane (PubChem CID 79311040) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane
PubChem CID79311040
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane
SMILESCCC1CNCCC12CCCC2S(C)(=O)=O
InChIInChI=1S/C12H23NO2S/c1-3-10-9-13-8-7-12(10)6-4-5-11(12)16(2,14)15/h10-11,13H,3-9H2,1-2H3
InChIKeyMLYVNHIQIMENRF-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane?
The IUPAC name of 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane (CID 79311040) is 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane.
What is the SMILES notation for 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane?
The canonical SMILES for 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane is CCC1CNCCC12CCCC2S(C)(=O)=O.
What is the InChIKey of 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane?
The InChIKey is MLYVNHIQIMENRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-3-10-9-13-8-7-12(10)6-4-5-11(12)16(2,14)15/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane?
10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane has a molecular weight of 245.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-4-methylsulfonyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 79311040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).