8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane

C17H25NO2S — CID 131678451

IUPAC8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1csc(CN2CC3(C2)OCCC3CCOCC2CC2)c1
InChIInChI=1S/C17H25NO2S/c1-2-16(21-9-1)10-18-12-17(13-18)15(6-8-20-17)5-7-19-11-14-3-4-14/h1-2,9,14-15H,3-8,10-13H2
InChIKeySJIDNWPLBBVIRK-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.16
Rot. Bonds7

About 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane

8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 131678451) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID131678451
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1csc(CN2CC3(C2)OCCC3CCOCC2CC2)c1
InChIInChI=1S/C17H25NO2S/c1-2-16(21-9-1)10-18-12-17(13-18)15(6-8-20-17)5-7-19-11-14-3-4-14/h1-2,9,14-15H,3-8,10-13H2
InChIKeySJIDNWPLBBVIRK-UHFFFAOYSA-N
XLogP3.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[2-(cyclopropylmethoxy)ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862381
(8S)-2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796778
2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 131658782
1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide
CID 124818462
(7S)-7-[2-(cyclopropylmethoxy)ethyl]-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790492
(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124790929
[4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
CID 131659692
1,3-benzodioxol-5-yl-[8-[2-(cyclopropylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663962
(2-methylphenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658402
(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663304
[(8R)-8-[2-(cyclopentylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 124816688
(8S)-2-[(4-methoxyphenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124794176

Frequently Asked Questions

What is the IUPAC name of 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane (CID 131678451) is 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane is c1csc(CN2CC3(C2)OCCC3CCOCC2CC2)c1.
What is the InChIKey of 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is SJIDNWPLBBVIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-2-16(21-9-1)10-18-12-17(13-18)15(6-8-20-17)5-7-19-11-14-3-4-14/h1-2,9,14-15H,3-8,10-13H2.
What are the key properties of 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?
8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 307.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(cyclopropylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 131678451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).