2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

C17H24N2OS — CID 131677421

IUPAC2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESc1cncc(COC2CSC3(C2)CN(CC2CCC2)C3)c1
InChIInChI=1S/C17H24N2OS/c1-3-14(4-1)9-19-12-17(13-19)7-16(11-21-17)20-10-15-5-2-6-18-8-15/h2,5-6,8,14,16H,1,3-4,7,9-13H2
InChIKeyWMVMCNOTZYAINL-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.96
Rot. Bonds5

About 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (PubChem CID 131677421) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
PubChem CID131677421
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESc1cncc(COC2CSC3(C2)CN(CC2CCC2)C3)c1
InChIInChI=1S/C17H24N2OS/c1-3-14(4-1)9-19-12-17(13-19)7-16(11-21-17)20-10-15-5-2-6-18-8-15/h2,5-6,8,14,16H,1,3-4,7,9-13H2
InChIKeyWMVMCNOTZYAINL-UHFFFAOYSA-N
XLogP2.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677285
2-cyclopentyl-1-[(7S)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124795660
2-[(3-methoxyphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677497
2-[(1-ethylpyrazol-4-yl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 133140804
2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124785892
(7S)-2-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 124912506
(7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide
CID 124805254
(1-fluorocyclopropyl)-[7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692468
[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124791489
2-[(3-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155862399
(5-methylfuran-2-yl)-[7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 133141659
2-(3-fluorophenyl)-1-[7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131648004

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (CID 131677421) is 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is c1cncc(COC2CSC3(C2)CN(CC2CCC2)C3)c1.
What is the InChIKey of 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is WMVMCNOTZYAINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-14(4-1)9-19-12-17(13-19)7-16(11-21-17)20-10-15-5-2-6-18-8-15/h2,5-6,8,14,16H,1,3-4,7,9-13H2.
What are the key properties of 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 304.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131677421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).