11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide

C12H23NO2S — CID 79320236

IUPAC11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
SMILESCCCC1CNCCC12CCCS(=O)(=O)C2
InChIInChI=1S/C12H23NO2S/c1-2-4-11-9-13-7-6-12(11)5-3-8-16(14,15)10-12/h11,13H,2-10H2,1H3
InChIKeyYWWIPGOQGYOASW-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds2

About 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide

11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide (PubChem CID 79320236) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide.

Molecular Properties

Compound Name11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
PubChem CID79320236
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
SMILESCCCC1CNCCC12CCCS(=O)(=O)C2
InChIInChI=1S/C12H23NO2S/c1-2-4-11-9-13-7-6-12(11)5-3-8-16(14,15)10-12/h11,13H,2-10H2,1H3
InChIKeyYWWIPGOQGYOASW-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane
CID 79321593
8-methyl-3'-propylspiro[8-azabicyclo[3.2.1]octane-3,4'-piperidine]
CID 79321115
5-ethyl-3-azaspiro[5.11]heptadecane
CID 79321032
5-ethyl-3-azaspiro[5.7]tridecane
CID 79321134
6-propyl-2-oxa-8-azaspiro[4.5]decane
CID 79321500
3'-propylspiro[1,3-dihydroindene-2,4'-piperidine]
CID 79320324
4-fluoro-4-methyl-3-propylpiperidine
CID 84716694
11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione
CID 79320480
6-cyclopentyl-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide
CID 112570757
2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
CID 79321591
5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane
CID 79320349
4-(methoxymethyl)-4-methyl-3-propylpiperidine
CID 79321116

Frequently Asked Questions

What is the IUPAC name of 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide?
The IUPAC name of 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide (CID 79320236) is 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide.
What is the SMILES notation for 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide?
The canonical SMILES for 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide is CCCC1CNCCC12CCCS(=O)(=O)C2.
What is the InChIKey of 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide?
The InChIKey is YWWIPGOQGYOASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-4-11-9-13-7-6-12(11)5-3-8-16(14,15)10-12/h11,13H,2-10H2,1H3.
What are the key properties of 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide?
11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide has a molecular weight of 245.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide is sourced from PubChem (CID 79320236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).