7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

C11H19NO2S — CID 168907014

IUPAC7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(C3CCCC3)C2)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)8-11(9-15)5-6-12(7-11)10-3-1-2-4-10/h10H,1-9H2
InChIKeyPZFZWEIYDXZIJE-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.05
Rot. Bonds1

About 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (PubChem CID 168907014) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.

Molecular Properties

Compound Name7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
PubChem CID168907014
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(C3CCCC3)C2)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)8-11(9-15)5-6-12(7-11)10-3-1-2-4-10/h10H,1-9H2
InChIKeyPZFZWEIYDXZIJE-UHFFFAOYSA-N
XLogP1.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907187
7-[4-[2-(trifluoromethyl)pyrimidin-5-yl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907238
7-[4-[1-cyclobutyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907122
7-[(3R)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907137
7-[4-[5-(trifluoromethyl)-3-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907035
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519
7-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907011
8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
7-[4-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907149
3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide
CID 117028699
7-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168906938
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The IUPAC name of 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (CID 168907014) is 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.
What is the SMILES notation for 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The canonical SMILES for 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is O=S1(=O)CC2(CCN(C3CCCC3)C2)C1.
What is the InChIKey of 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The InChIKey is PZFZWEIYDXZIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-15(14)8-11(9-15)5-6-12(7-11)10-3-1-2-4-10/h10H,1-9H2.
What are the key properties of 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide has a molecular weight of 229.34 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is sourced from PubChem (CID 168907014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).