3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide

C14H26N2O2S — CID 102849442

IUPAC3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(N2CCCC3(CCCNC3)C2)C1
InChIInChI=1S/C14H26N2O2S/c17-19(18)9-1-4-13(10-19)16-8-3-6-14(12-16)5-2-7-15-11-14/h13,15H,1-12H2
InChIKeyUJRKOONDJSOAPF-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.03
Rot. Bonds1

About 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide

3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide (PubChem CID 102849442) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide
PubChem CID102849442
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(N2CCCC3(CCCNC3)C2)C1
InChIInChI=1S/C14H26N2O2S/c17-19(18)9-1-4-13(10-19)16-8-3-6-14(12-16)5-2-7-15-11-14/h13,15H,1-12H2
InChIKeyUJRKOONDJSOAPF-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide
CID 117028699
3-(3,3-dimethyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64951788
3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide
CID 64925182
3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one
CID 102850218
2-(3,3,5-trimethylcyclohexyl)-2,8-diazaspiro[5.5]undecane
CID 102849291
5-piperidin-4-yl-5-azaspiro[2.5]octane;dihydrochloride
CID 156735083
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587
4-(1,1-dioxothian-3-yl)-6,6-dimethyl-1,4-diazepan-5-one
CID 115100525
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407
1-(1,1-dioxothian-3-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064274
2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride
CID 155487187
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782

Frequently Asked Questions

What is the IUPAC name of 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide (CID 102849442) is 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide is O=S1(=O)CCCC(N2CCCC3(CCCNC3)C2)C1.
What is the InChIKey of 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide?
The InChIKey is UJRKOONDJSOAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18)9-1-4-13(10-19)16-8-3-6-14(12-16)5-2-7-15-11-14/h13,15H,1-12H2.
What are the key properties of 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide?
3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 102849442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).