3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

C8H17N3O2S — CID 151678234

IUPAC3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCC1CC2(CCN1)CN(C)S(=O)(=O)N2
InChIInChI=1S/C8H17N3O2S/c1-7-5-8(3-4-9-7)6-11(2)14(12,13)10-8/h7,9-10H,3-6H2,1-2H3
InChIKeyQZZASIMLMPZQSS-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.72
Rot. Bonds

About 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 151678234) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID151678234
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCC1CC2(CCN1)CN(C)S(=O)(=O)N2
InChIInChI=1S/C8H17N3O2S/c1-7-5-8(3-4-9-7)6-11(2)14(12,13)10-8/h7,9-10H,3-6H2,1-2H3
InChIKeyQZZASIMLMPZQSS-UHFFFAOYSA-N
XLogP-0.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
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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Related Compounds

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1-[(2S,4S)-4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 132355566
1-[(2S,4S)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-fluoropyrrolidin-2-yl]-N-methylmethanamine
CID 132355567
4-Methyl-2-(2-piperidin-4-ylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 20434878
2-[2-(4-Piperidyl)ethyl]-4-methyl-1,2,5-thiadiazolidine-1,1-dioxide
CID 20434886
2-[2-(4-Piperidyl)ethyl]-3-methyl-1,2,5-thiadiazolidine-1,1-dioxide
CID 20434889
2-(1-Piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 20434925
2-(2-Piperidin-4-ylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 20434940
9-Methyl-2lambda6-thia-1,3,9-triazaspiro[4.5]decane 2,2-dioxide
CID 58964406
2lambda6-Thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 59929932
(5R,7S)-7-methyl-1-pentyl-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (CID 151678234) is 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is CC1CC2(CCN1)CN(C)S(=O)(=O)N2.
What is the InChIKey of 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is QZZASIMLMPZQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-7-5-8(3-4-9-7)6-11(2)14(12,13)10-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
3,7-dimethyl-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, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 151678234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).