(8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C18H26N2O3S — CID 124793481

IUPAC(8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCc1cccc(COC[C@@H]2CCS(=O)(=O)C23CN(C2CCC2)C3)n1
InChIInChI=1S/C18H26N2O3S/c1-14-4-2-5-16(19-14)11-23-10-15-8-9-24(21,22)18(15)12-20(13-18)17-6-3-7-17/h2,4-5,15,17H,3,6-13H2,1H3/t15-/m0/s1
InChIKeyHFWYVZJNAXEIJU-HNNXBMFYSA-N
MW350.48 g/mol
LogP1.95
Rot. Bonds5

About (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

(8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 124793481) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name(8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID124793481
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCc1cccc(COC[C@@H]2CCS(=O)(=O)C23CN(C2CCC2)C3)n1
InChIInChI=1S/C18H26N2O3S/c1-14-4-2-5-16(19-14)11-23-10-15-8-9-24(21,22)18(15)12-20(13-18)17-6-3-7-17/h2,4-5,15,17H,3,6-13H2,1H3/t15-/m0/s1
InChIKeyHFWYVZJNAXEIJU-HNNXBMFYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8R)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124793482
N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131642760
(8R)-2-cyclopentyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124779913
(3-methylphenyl)-[8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669125
(3aR,6aR)-5-cyclobutyl-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155849756
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
(8R)-8-(ethoxymethyl)-2-(quinolin-2-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124869855
(2,6-dimethyl-4-pyridinyl)-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143160
[8-[(6-methyl-2-pyridinyl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131654987
[(8S)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 124794690
1-[(6-methyl-2-pyridinyl)methoxymethyl]cyclopentan-1-amine
CID 79260688

Frequently Asked Questions

What is the IUPAC name of (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 124793481) is (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is Cc1cccc(COC[C@@H]2CCS(=O)(=O)C23CN(C2CCC2)C3)n1.
What is the InChIKey of (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is HFWYVZJNAXEIJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-4-2-5-16(19-14)11-23-10-15-8-9-24(21,22)18(15)12-20(13-18)17-6-3-7-17/h2,4-5,15,17H,3,6-13H2,1H3/t15-/m0/s1.
What are the key properties of (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
(8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 350.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-cyclobutyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 124793481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).