(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane

C17H27NOS — CID 135105548

IUPAC(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCCc1ccc(CN2CCC[C@]3(CCC[C@H]3OC)C2)s1
InChIInChI=1S/C17H27NOS/c1-3-14-7-8-15(20-14)12-18-11-5-10-17(13-18)9-4-6-16(17)19-2/h7-8,16H,3-6,9-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyZREDSKXKJSBBAG-IAGOWNOFSA-N
MW293.48 g/mol
LogP4.09
Rot. Bonds4

About (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane

(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane (PubChem CID 135105548) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
PubChem CID135105548
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCCc1ccc(CN2CCC[C@]3(CCC[C@H]3OC)C2)s1
InChIInChI=1S/C17H27NOS/c1-3-14-7-8-15(20-14)12-18-11-5-10-17(13-18)9-4-6-16(17)19-2/h7-8,16H,3-6,9-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyZREDSKXKJSBBAG-IAGOWNOFSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane with MolForge

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Related Compounds

3-[5-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 135089383
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706
5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 135100692
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810
4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
CID 135096793
1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile
CID 131903864
(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135119230
(4R,5R)-7-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135094596
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane (CID 135105548) is (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane is CCc1ccc(CN2CCC[C@]3(CCC[C@H]3OC)C2)s1.
What is the InChIKey of (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The InChIKey is ZREDSKXKJSBBAG-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-14-7-8-15(20-14)12-18-11-5-10-17(13-18)9-4-6-16(17)19-2/h7-8,16H,3-6,9-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane has a molecular weight of 293.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane is sourced from PubChem (CID 135105548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).