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

C14H21N3O2S — CID 167345010

IUPAC8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCN1CC2(CCN(Cc3ccccc3)CC2)NS1(=O)=O
InChIInChI=1S/C14H21N3O2S/c1-16-12-14(15-20(16,18)19)7-9-17(10-8-14)11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyUOVZANKGWIFNPD-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.80
Rot. Bonds2

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

8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (PubChem CID 167345010) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
PubChem CID167345010
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
SMILESCN1CC2(CCN(Cc3ccccc3)CC2)NS1(=O)=O
InChIInChI=1S/C14H21N3O2S/c1-16-12-14(15-20(16,18)19)7-9-17(10-8-14)11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyUOVZANKGWIFNPD-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide with MolForge

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Related Compounds

2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
9-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212930
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1'-benzyl-7-chlorospiro[1,3-dihydroimidazo[1,2-c]pyrimidine-2,4'-piperidine]-5-one
CID 137194123
4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide
CID 118960501
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide (CID 167345010) is 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is CN1CC2(CCN(Cc3ccccc3)CC2)NS1(=O)=O.
What is the InChIKey of 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
The InChIKey is UOVZANKGWIFNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16-12-14(15-20(16,18)19)7-9-17(10-8-14)11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3.
What are the key properties of 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide?
8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 295.41 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 167345010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).