(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C18H26N2O3S — CID 124779913

IUPAC(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CC[C@H](COCc2ccccn2)C12CN(C1CCCC1)C2
InChIInChI=1S/C18H26N2O3S/c21-24(22)10-8-15(11-23-12-16-5-3-4-9-19-16)18(24)13-20(14-18)17-6-1-2-7-17/h3-5,9,15,17H,1-2,6-8,10-14H2/t15-/m1/s1
InChIKeyUPUMLZDIDHSONC-OAHLLOKOSA-N
MW350.48 g/mol
LogP2.03
Rot. Bonds5

About (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 124779913) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID124779913
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CC[C@H](COCc2ccccn2)C12CN(C1CCCC1)C2
InChIInChI=1S/C18H26N2O3S/c21-24(22)10-8-15(11-23-12-16-5-3-4-9-19-16)18(24)13-20(14-18)17-6-1-2-7-17/h3-5,9,15,17H,1-2,6-8,10-14H2/t15-/m1/s1
InChIKeyUPUMLZDIDHSONC-OAHLLOKOSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide with MolForge

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Related Compounds

2-methyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133139969
(8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124793481
(8R)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124793482
N,N-dimethyl-5,5-dioxo-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155851910
[5,5-dioxo-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(1H-indol-2-yl)methanone
CID 131671659
(8S)-2-(pyridin-2-ylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124779549
2-(cyclopentylmethyl)-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131655467
N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131642760
2-propan-2-yl-8-(pyrimidin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131678360
(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97477757
(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451863
(7R)-5-cyclobutyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911912

Frequently Asked Questions

What is the IUPAC name of (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 124779913) is (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is O=S1(=O)CC[C@H](COCc2ccccn2)C12CN(C1CCCC1)C2.
What is the InChIKey of (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is UPUMLZDIDHSONC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-24(22)10-8-15(11-23-12-16-5-3-4-9-19-16)18(24)13-20(14-18)17-6-1-2-7-17/h3-5,9,15,17H,1-2,6-8,10-14H2/t15-/m1/s1.
What are the key properties of (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 350.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 124779913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).