1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C15H22N2O2S — CID 71687505

IUPAC1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCON1C(=O)CCC12CCN(Cc1sccc1C)CC2
InChIInChI=1S/C15H22N2O2S/c1-12-4-10-20-13(12)11-16-8-6-15(7-9-16)5-3-14(18)17(15)19-2/h4,10H,3,5-9,11H2,1-2H3
InChIKeyNPOUDPGYOSTWQC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.57
Rot. Bonds3

About 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 71687505) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID71687505
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCON1C(=O)CCC12CCN(Cc1sccc1C)CC2
InChIInChI=1S/C15H22N2O2S/c1-12-4-10-20-13(12)11-16-8-6-15(7-9-16)5-3-14(18)17(15)19-2/h4,10H,3,5-9,11H2,1-2H3
InChIKeyNPOUDPGYOSTWQC-UHFFFAOYSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4R)-8-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95722750
8-[(9-ethylcarbazol-3-yl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
CID 71687450
1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 56854738
1-[4-(methoxymethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922136
7-[(3-methylthiophen-2-yl)methyl]-5,6,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922372
[3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 115882917
1-methoxy-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 56855930
5-(methoxymethyl)-9-[(3-methylthiophen-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155847881
(3R,4S)-4-methyl-3-(2-methylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-ol
CID 133116834
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487027
7-[(3-methylthiophen-2-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 126464743

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 71687505) is 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is CON1C(=O)CCC12CCN(Cc1sccc1C)CC2.
What is the InChIKey of 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NPOUDPGYOSTWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12-4-10-20-13(12)11-16-8-6-15(7-9-16)5-3-14(18)17(15)19-2/h4,10H,3,5-9,11H2,1-2H3.
What are the key properties of 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 294.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 71687505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).