1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol

C12H23NO3S — CID 164871844

IUPAC1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol
SMILESCC(C)(C)S(=O)(=O)N1CC(O)CC12CCCC2
InChIInChI=1S/C12H23NO3S/c1-11(2,3)17(15,16)13-9-10(14)8-12(13)6-4-5-7-12/h10,14H,4-9H2,1-3H3
InChIKeyDCAOSKWHGYGCEK-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.49
Rot. Bonds1

About 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol

1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol (PubChem CID 164871844) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol.

Molecular Properties

Compound Name1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol
PubChem CID164871844
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol
SMILESCC(C)(C)S(=O)(=O)N1CC(O)CC12CCCC2
InChIInChI=1S/C12H23NO3S/c1-11(2,3)17(15,16)13-9-10(14)8-12(13)6-4-5-7-12/h10,14H,4-9H2,1-3H3
InChIKeyDCAOSKWHGYGCEK-UHFFFAOYSA-N
XLogP1.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol?
The IUPAC name of 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol (CID 164871844) is 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol.
What is the SMILES notation for 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol?
The canonical SMILES for 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol is CC(C)(C)S(=O)(=O)N1CC(O)CC12CCCC2.
What is the InChIKey of 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol?
The InChIKey is DCAOSKWHGYGCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-11(2,3)17(15,16)13-9-10(14)8-12(13)6-4-5-7-12/h10,14H,4-9H2,1-3H3.
What are the key properties of 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol?
1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol has a molecular weight of 261.39 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol is sourced from PubChem (CID 164871844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).