4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide

C15H22N2O2S — CID 118960501

IUPAC4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccccc2)CC12CCNCC2
InChIInChI=1S/C15H22N2O2S/c18-20(19)11-10-17(12-14-4-2-1-3-5-14)13-15(20)6-8-16-9-7-15/h1-5,16H,6-13H2
InChIKeyYJCPAFCQIIVPED-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.04
Rot. Bonds2

About 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide

4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide (PubChem CID 118960501) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide.

Molecular Properties

Compound Name4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide
PubChem CID118960501
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccccc2)CC12CCNCC2
InChIInChI=1S/C15H22N2O2S/c18-20(19)11-10-17(12-14-4-2-1-3-5-14)13-15(20)6-8-16-9-7-15/h1-5,16H,6-13H2
InChIKeyYJCPAFCQIIVPED-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
azane;1-benzylpiperazine
CID 174866973
2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 167345010
4,13-dibenzyl-1,1-dioxo-1λ6-thia-4,7,10,13-tetrazacyclopentadecane-8,9-dione
CID 11113478
(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 113231360
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide?
The IUPAC name of 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide (CID 118960501) is 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide.
What is the SMILES notation for 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide?
The canonical SMILES for 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide is O=S1(=O)CCN(Cc2ccccc2)CC12CCNCC2.
What is the InChIKey of 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide?
The InChIKey is YJCPAFCQIIVPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19)11-10-17(12-14-4-2-1-3-5-14)13-15(20)6-8-16-9-7-15/h1-5,16H,6-13H2.
What are the key properties of 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide?
4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide has a molecular weight of 294.42 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1λ6-thia-4,9-diazaspiro[5.5]undecane 1,1-dioxide is sourced from PubChem (CID 118960501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).