6-butylsulfonyl-6-azaspiro[2.5]octane

C11H21NO2S — CID 97399325

IUPAC6-butylsulfonyl-6-azaspiro[2.5]octane
SMILESCCCCS(=O)(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C11H21NO2S/c1-2-3-10-15(13,14)12-8-6-11(4-5-11)7-9-12/h2-10H2,1H3
InChIKeyZZLVZIAKOSKIDF-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.99
Rot. Bonds4

About 6-butylsulfonyl-6-azaspiro[2.5]octane

6-butylsulfonyl-6-azaspiro[2.5]octane (PubChem CID 97399325) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 6-butylsulfonyl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-butylsulfonyl-6-azaspiro[2.5]octane
PubChem CID97399325
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name6-butylsulfonyl-6-azaspiro[2.5]octane
SMILESCCCCS(=O)(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C11H21NO2S/c1-2-3-10-15(13,14)12-8-6-11(4-5-11)7-9-12/h2-10H2,1H3
InChIKeyZZLVZIAKOSKIDF-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butylsulfonyl-6-azaspiro[2.5]octane?
The IUPAC name of 6-butylsulfonyl-6-azaspiro[2.5]octane (CID 97399325) is 6-butylsulfonyl-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-butylsulfonyl-6-azaspiro[2.5]octane?
The canonical SMILES for 6-butylsulfonyl-6-azaspiro[2.5]octane is CCCCS(=O)(=O)N1CCC2(CC1)CC2.
What is the InChIKey of 6-butylsulfonyl-6-azaspiro[2.5]octane?
The InChIKey is ZZLVZIAKOSKIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-2-3-10-15(13,14)12-8-6-11(4-5-11)7-9-12/h2-10H2,1H3.
What are the key properties of 6-butylsulfonyl-6-azaspiro[2.5]octane?
6-butylsulfonyl-6-azaspiro[2.5]octane has a molecular weight of 231.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfonyl-6-azaspiro[2.5]octane is sourced from PubChem (CID 97399325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).