6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

C9H17NO2S — CID 90364698

IUPAC6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
SMILESCC(C)(C)N1CC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C9H17NO2S/c1-8(2,3)10-4-9(5-10)6-13(11,12)7-9/h4-7H2,1-3H3
InChIKeyZOQNJKTXPDDWOE-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.52
Rot. Bonds

About 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (PubChem CID 90364698) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

Compound Name6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
PubChem CID90364698
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
SMILESCC(C)(C)N1CC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C9H17NO2S/c1-8(2,3)10-4-9(5-10)6-13(11,12)7-9/h4-7H2,1-3H3
InChIKeyZOQNJKTXPDDWOE-UHFFFAOYSA-N
XLogP0.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The IUPAC name of 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (CID 90364698) is 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.
What is the SMILES notation for 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The canonical SMILES for 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is CC(C)(C)N1CC2(C1)CS(=O)(=O)C2.
What is the InChIKey of 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
The InChIKey is ZOQNJKTXPDDWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2,3)10-4-9(5-10)6-13(11,12)7-9/h4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?
6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 90364698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).