9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide

C10H19NO2S — CID 70641654

IUPAC9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
SMILESCN1CCC2(CCCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S/c1-11-6-4-10(5-7-11)3-2-8-14(12,13)9-10/h2-9H2,1H3
InChIKeyBMACYVRIXNBTTH-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.91
Rot. Bonds

About 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide

9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide (PubChem CID 70641654) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide.

Molecular Properties

Compound Name9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
PubChem CID70641654
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
SMILESCN1CCC2(CCCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S/c1-11-6-4-10(5-7-11)3-2-8-14(12,13)9-10/h2-9H2,1H3
InChIKeyBMACYVRIXNBTTH-UHFFFAOYSA-N
XLogP0.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide?
The IUPAC name of 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide (CID 70641654) is 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide.
What is the SMILES notation for 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide?
The canonical SMILES for 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide is CN1CCC2(CCCS(=O)(=O)C2)CC1.
What is the InChIKey of 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide?
The InChIKey is BMACYVRIXNBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-11-6-4-10(5-7-11)3-2-8-14(12,13)9-10/h2-9H2,1H3.
What are the key properties of 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide?
9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide is sourced from PubChem (CID 70641654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).