(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane

C15H23NO2S — CID 124912592

IUPAC(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@H]1CCOC2(C1)CN(Cc1sccc1C)C2
InChIInChI=1S/C15H23NO2S/c1-3-17-13-4-6-18-15(8-13)10-16(11-15)9-14-12(2)5-7-19-14/h5,7,13H,3-4,6,8-11H2,1-2H3/t13-/m0/s1
InChIKeyRVIRLEAIEOHGDO-ZDUSSCGKSA-N
MW281.42 g/mol
LogP2.83
Rot. Bonds4

About (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124912592) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124912592
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@H]1CCOC2(C1)CN(Cc1sccc1C)C2
InChIInChI=1S/C15H23NO2S/c1-3-17-13-4-6-18-15(8-13)10-16(11-15)9-14-12(2)5-7-19-14/h5,7,13H,3-4,6,8-11H2,1-2H3/t13-/m0/s1
InChIKeyRVIRLEAIEOHGDO-ZDUSSCGKSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131649957
(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124818022
(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124828466
(3R,5S)-3-(cyclopropylmethoxy)-7-[(3-methylthiophen-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97419940
8-ethoxy-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131646131
1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone
CID 124828538
(8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
CID 124819367
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131663586
N,N-dimethyl-2-[[(8S)-2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]acetamide
CID 124807515
8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131653415
2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124809200
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805402

Frequently Asked Questions

What is the IUPAC name of (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane (CID 124912592) is (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane is CCO[C@H]1CCOC2(C1)CN(Cc1sccc1C)C2.
What is the InChIKey of (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is RVIRLEAIEOHGDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-17-13-4-6-18-15(8-13)10-16(11-15)9-14-12(2)5-7-19-14/h5,7,13H,3-4,6,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 281.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124912592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).