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

C8H17N3O2S — CID 146394754

IUPAC8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCCN1CCC2(CC1)CNS(=O)(=O)N2
InChIInChI=1S/C8H17N3O2S/c1-2-11-5-3-8(4-6-11)7-9-14(12,13)10-8/h9-10H,2-7H2,1H3
InChIKeyQYZIVPKHKWXJOJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.72
Rot. Bonds1

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

8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 146394754) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID146394754
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCCN1CCC2(CC1)CNS(=O)(=O)N2
InChIInChI=1S/C8H17N3O2S/c1-2-11-5-3-8(4-6-11)7-9-14(12,13)10-8/h9-10H,2-7H2,1H3
InChIKeyQYZIVPKHKWXJOJ-UHFFFAOYSA-N
XLogP-0.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (CID 146394754) is 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is CCN1CCC2(CC1)CNS(=O)(=O)N2.
What is the InChIKey of 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is QYZIVPKHKWXJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-2-11-5-3-8(4-6-11)7-9-14(12,13)10-8/h9-10H,2-7H2,1H3.
What are the key properties of 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 219.31 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 146394754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).