8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

C9H19N3O2S — CID 167344986

IUPAC8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCCN1CCC2(CC1)CN(C)S(=O)(=O)N2
InChIInChI=1S/C9H19N3O2S/c1-3-12-6-4-9(5-7-12)8-11(2)15(13,14)10-9/h10H,3-8H2,1-2H3
InChIKeyCNRGSBKIIFFHBE-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.38
Rot. Bonds1

About 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 167344986) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID167344986
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCCN1CCC2(CC1)CN(C)S(=O)(=O)N2
InChIInChI=1S/C9H19N3O2S/c1-3-12-6-4-9(5-7-12)8-11(2)15(13,14)10-9/h10H,3-8H2,1-2H3
InChIKeyCNRGSBKIIFFHBE-UHFFFAOYSA-N
XLogP-0.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (CID 167344986) is 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is CCN1CCC2(CC1)CN(C)S(=O)(=O)N2.
What is the InChIKey of 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is CNRGSBKIIFFHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-3-12-6-4-9(5-7-12)8-11(2)15(13,14)10-9/h10H,3-8H2,1-2H3.
What are the key properties of 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 233.34 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 167344986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).