N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine

C17H27NO2S — CID 105016929

IUPACN-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1sccc1OC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H27NO2S/c1-3-18-15(16-14(19-2)7-11-21-16)13-6-10-20-17(12-13)8-4-5-9-17/h7,11,13,15,18H,3-6,8-10,12H2,1-2H3
InChIKeyDWBOYPWEKLUZDZ-UHFFFAOYSA-N
MW309.47 g/mol
LogP4.15
Rot. Bonds5

About N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 105016929) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID105016929
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1sccc1OC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H27NO2S/c1-3-18-15(16-14(19-2)7-11-21-16)13-6-10-20-17(12-13)8-4-5-9-17/h7,11,13,15,18H,3-6,8-10,12H2,1-2H3
InChIKeyDWBOYPWEKLUZDZ-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105012158
N-[(3-chlorothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016857
N-[(4-methoxythiophen-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010344
N-[(3-methylthiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017670
N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 79914001
N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016723
N-[(2-chlorofuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692703
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170134
1-(3-ethylthiophen-2-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105017996
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
CID 79914388
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
N-[(2-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105166196

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 105016929) is N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(c1sccc1OC)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is DWBOYPWEKLUZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-18-15(16-14(19-2)7-11-21-16)13-6-10-20-17(12-13)8-4-5-9-17/h7,11,13,15,18H,3-6,8-10,12H2,1-2H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 309.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 105016929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).