8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

C9H19N3O2S — CID 167214339

IUPAC8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCC(C)N1CCC2(CC1)CNS(=O)(=O)N2
InChIInChI=1S/C9H19N3O2S/c1-8(2)12-5-3-9(4-6-12)7-10-15(13,14)11-9/h8,10-11H,3-7H2,1-2H3
InChIKeyWSHDVARVUIWELC-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.33
Rot. Bonds1

About 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 167214339) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID167214339
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCC(C)N1CCC2(CC1)CNS(=O)(=O)N2
InChIInChI=1S/C9H19N3O2S/c1-8(2)12-5-3-9(4-6-12)7-10-15(13,14)11-9/h8,10-11H,3-7H2,1-2H3
InChIKeyWSHDVARVUIWELC-UHFFFAOYSA-N
XLogP-0.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (CID 167214339) is 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is CC(C)N1CCC2(CC1)CNS(=O)(=O)N2.
What is the InChIKey of 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is WSHDVARVUIWELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-8(2)12-5-3-9(4-6-12)7-10-15(13,14)11-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 233.34 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 167214339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).