(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone

C18H28N2O2S — CID 131652187

IUPAC(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCC1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)N1C
InChIInChI=1S/C18H28N2O2S/c1-13-11-16(23-14(13)2)17(21)20-9-7-18(8-10-20)6-5-15(12-22-4)19(18)3/h11,15H,5-10,12H2,1-4H3
InChIKeyMHWJRGPVYZGZRB-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.08
Rot. Bonds3

About (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone

(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 131652187) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID131652187
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCC1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)N1C
InChIInChI=1S/C18H28N2O2S/c1-13-11-16(23-14(13)2)17(21)20-9-7-18(8-10-20)6-5-15(12-22-4)19(18)3/h11,15H,5-10,12H2,1-4H3
InChIKeyMHWJRGPVYZGZRB-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoro-2-methylphenyl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131658843
cyclohexen-1-yl-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 133136236
1,3-benzodioxol-5-yl-[(2R)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475319
2-(methoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 133140590
(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706841
(E)-1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 97477637
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 97475946
1-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 131650088
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97477667
(4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124869887
[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 97476796
(4,5-dimethylthiophen-2-yl)-[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418808

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone (CID 131652187) is (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone is COCC1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)N1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is MHWJRGPVYZGZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-13-11-16(23-14(13)2)17(21)20-9-7-18(8-10-20)6-5-15(12-22-4)19(18)3/h11,15H,5-10,12H2,1-4H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone?
(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 336.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131652187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).