2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C18H26N2O3S — CID 131655467

IUPAC2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CCC(COc2ccccn2)C12CN(CC1CCCC1)C2
InChIInChI=1S/C18H26N2O3S/c21-24(22)10-8-16(12-23-17-7-3-4-9-19-17)18(24)13-20(14-18)11-15-5-1-2-6-15/h3-4,7,9,15-16H,1-2,5-6,8,10-14H2
InChIKeyVRWKAIITRSVQSO-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.14
Rot. Bonds5

About 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 131655467) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID131655467
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CCC(COc2ccccn2)C12CN(CC1CCCC1)C2
InChIInChI=1S/C18H26N2O3S/c21-24(22)10-8-16(12-23-17-7-3-4-9-19-17)18(24)13-20(14-18)11-15-5-1-2-6-15/h3-4,7,9,15-16H,1-2,5-6,8,10-14H2
InChIKeyVRWKAIITRSVQSO-UHFFFAOYSA-N
XLogP2.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide with MolForge

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Related Compounds

(8S)-2-(pyridin-2-ylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124779549
2-cyclopropyl-1-[5,5-dioxo-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155824982
[(8S)-5,5-dioxo-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124796018
2-propylsulfonyl-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide;2,2,2-trifluoroacetic acid
CID 155859813
[5,5-dioxo-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155861297
(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124779913
(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893412
2-methyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133139969
2-benzyl-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133136275
2-propan-2-yl-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131678360
2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate
CID 159083135
2-[(2-fluorophenyl)methyl]-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide;2,2,2-trifluoroacetic acid
CID 155859793

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 131655467) is 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is O=S1(=O)CCC(COc2ccccn2)C12CN(CC1CCCC1)C2.
What is the InChIKey of 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is VRWKAIITRSVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-24(22)10-8-16(12-23-17-7-3-4-9-19-17)18(24)13-20(14-18)11-15-5-1-2-6-15/h3-4,7,9,15-16H,1-2,5-6,8,10-14H2.
What are the key properties of 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 350.48 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 131655467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).