2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide

C11H21NO2S — CID 167291889

IUPAC2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
SMILESCC(C)(C)N1CC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H21NO2S/c1-10(2,3)12-8-11(9-12)4-6-15(13,14)7-5-11/h4-9H2,1-3H3
InChIKeyWNBDBJSOQKPBSM-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.30
Rot. Bonds

About 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide

2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide (PubChem CID 167291889) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide.

Molecular Properties

Compound Name2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
PubChem CID167291889
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
SMILESCC(C)(C)N1CC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H21NO2S/c1-10(2,3)12-8-11(9-12)4-6-15(13,14)7-5-11/h4-9H2,1-3H3
InChIKeyWNBDBJSOQKPBSM-UHFFFAOYSA-N
XLogP1.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The IUPAC name of 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide (CID 167291889) is 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide.
What is the SMILES notation for 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The canonical SMILES for 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide is CC(C)(C)N1CC2(CCS(=O)(=O)CC2)C1.
What is the InChIKey of 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The InChIKey is WNBDBJSOQKPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10(2,3)12-8-11(9-12)4-6-15(13,14)7-5-11/h4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide has a molecular weight of 231.36 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide is sourced from PubChem (CID 167291889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).