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

C10H21N3O2S — CID 155396956

IUPAC8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCC(C)(C)N1CCC2(CC1)CNS(=O)(=O)N2
InChIInChI=1S/C10H21N3O2S/c1-9(2,3)13-6-4-10(5-7-13)8-11-16(14,15)12-10/h11-12H,4-8H2,1-3H3
InChIKeyFVIUXJLSIPBKHF-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.06
Rot. Bonds

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

8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 155396956) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID155396956
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCC(C)(C)N1CCC2(CC1)CNS(=O)(=O)N2
InChIInChI=1S/C10H21N3O2S/c1-9(2,3)13-6-4-10(5-7-13)8-11-16(14,15)12-10/h11-12H,4-8H2,1-3H3
InChIKeyFVIUXJLSIPBKHF-UHFFFAOYSA-N
XLogP0.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (CID 155396956) is 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is CC(C)(C)N1CCC2(CC1)CNS(=O)(=O)N2.
What is the InChIKey of 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is FVIUXJLSIPBKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-9(2,3)13-6-4-10(5-7-13)8-11-16(14,15)12-10/h11-12H,4-8H2,1-3H3.
What are the key properties of 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 247.36 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 155396956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).