2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane

C16H26N2OS — CID 131648763

IUPAC2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCC1CCC2(CCN(Cc3ccsc3)CC2)N1C
InChIInChI=1S/C16H26N2OS/c1-17-15(12-19-2)3-5-16(17)6-8-18(9-7-16)11-14-4-10-20-13-14/h4,10,13,15H,3,5-9,11-12H2,1-2H3
InChIKeyVLXQNCBPJRWXHV-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.82
Rot. Bonds4

About 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane

2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 131648763) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane
PubChem CID131648763
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCC1CCC2(CCN(Cc3ccsc3)CC2)N1C
InChIInChI=1S/C16H26N2OS/c1-17-15(12-19-2)3-5-16(17)6-8-18(9-7-16)11-14-4-10-20-13-14/h4,10,13,15H,3,5-9,11-12H2,1-2H3
InChIKeyVLXQNCBPJRWXHV-UHFFFAOYSA-N
XLogP2.82
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
CID 131660834
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383969
3-(methoxymethyl)-8-(thiophen-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155840879
4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131660669
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124796710
(4R)-4-(methoxymethyl)-8-(oxan-4-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124789824
1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 97399235
(1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 97415521

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane (CID 131648763) is 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane is COCC1CCC2(CCN(Cc3ccsc3)CC2)N1C.
What is the InChIKey of 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is VLXQNCBPJRWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-17-15(12-19-2)3-5-16(17)6-8-18(9-7-16)11-14-4-10-20-13-14/h4,10,13,15H,3,5-9,11-12H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 294.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131648763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).