2-butylsulfonyl-2-azaspiro[4.4]nonane

C12H23NO2S — CID 75422623

IUPAC2-butylsulfonyl-2-azaspiro[4.4]nonane
SMILESCCCCS(=O)(=O)N1CCC2(CCCC2)C1
InChIInChI=1S/C12H23NO2S/c1-2-3-10-16(14,15)13-9-8-12(11-13)6-4-5-7-12/h2-11H2,1H3
InChIKeyIFDNPJAGDGBIGO-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.38
Rot. Bonds4

About 2-butylsulfonyl-2-azaspiro[4.4]nonane

2-butylsulfonyl-2-azaspiro[4.4]nonane (PubChem CID 75422623) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-butylsulfonyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-butylsulfonyl-2-azaspiro[4.4]nonane
PubChem CID75422623
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-butylsulfonyl-2-azaspiro[4.4]nonane
SMILESCCCCS(=O)(=O)N1CCC2(CCCC2)C1
InChIInChI=1S/C12H23NO2S/c1-2-3-10-16(14,15)13-9-8-12(11-13)6-4-5-7-12/h2-11H2,1H3
InChIKeyIFDNPJAGDGBIGO-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-2-azaspiro[4.4]nonane?
The IUPAC name of 2-butylsulfonyl-2-azaspiro[4.4]nonane (CID 75422623) is 2-butylsulfonyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 2-butylsulfonyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 2-butylsulfonyl-2-azaspiro[4.4]nonane is CCCCS(=O)(=O)N1CCC2(CCCC2)C1.
What is the InChIKey of 2-butylsulfonyl-2-azaspiro[4.4]nonane?
The InChIKey is IFDNPJAGDGBIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-3-10-16(14,15)13-9-8-12(11-13)6-4-5-7-12/h2-11H2,1H3.
What are the key properties of 2-butylsulfonyl-2-azaspiro[4.4]nonane?
2-butylsulfonyl-2-azaspiro[4.4]nonane has a molecular weight of 245.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 75422623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).