5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol

C11H21NO3S — CID 164871551

IUPAC5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol
SMILESCC(C)(C)S(=O)(=O)N1CC(O)CC12CCC2
InChIInChI=1S/C11H21NO3S/c1-10(2,3)16(14,15)12-8-9(13)7-11(12)5-4-6-11/h9,13H,4-8H2,1-3H3
InChIKeyVWBUILVAIYPJDS-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.10
Rot. Bonds1

About 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol

5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol (PubChem CID 164871551) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol.

Molecular Properties

Compound Name5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol
PubChem CID164871551
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol
SMILESCC(C)(C)S(=O)(=O)N1CC(O)CC12CCC2
InChIInChI=1S/C11H21NO3S/c1-10(2,3)16(14,15)12-8-9(13)7-11(12)5-4-6-11/h9,13H,4-8H2,1-3H3
InChIKeyVWBUILVAIYPJDS-UHFFFAOYSA-N
XLogP1.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol?
The IUPAC name of 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol (CID 164871551) is 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol.
What is the SMILES notation for 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol?
The canonical SMILES for 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol is CC(C)(C)S(=O)(=O)N1CC(O)CC12CCC2.
What is the InChIKey of 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol?
The InChIKey is VWBUILVAIYPJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10(2,3)16(14,15)12-8-9(13)7-11(12)5-4-6-11/h9,13H,4-8H2,1-3H3.
What are the key properties of 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol?
5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol has a molecular weight of 247.36 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol is sourced from PubChem (CID 164871551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).