[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone

C20H30N2O2S — CID 91910567

IUPAC[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(C)s1)CC2
InChIInChI=1S/C20H30N2O2S/c1-15-6-7-18(25-15)19(23)21-10-8-20(9-11-21)14-22(17-4-3-5-17)12-16(20)13-24-2/h6-7,16-17H,3-5,8-14H2,1-2H3
InChIKeyYWUDEQKIOFGNMG-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.41
Rot. Bonds4

About [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 91910567) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID91910567
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(C)s1)CC2
InChIInChI=1S/C20H30N2O2S/c1-15-6-7-18(25-15)19(23)21-10-8-20(9-11-21)14-22(17-4-3-5-17)12-16(20)13-24-2/h6-7,16-17H,3-5,8-14H2,1-2H3
InChIKeyYWUDEQKIOFGNMG-UHFFFAOYSA-N
XLogP3.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone (CID 91910567) is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone is COCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(C)s1)CC2.
What is the InChIKey of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is YWUDEQKIOFGNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-15-6-7-18(25-15)19(23)21-10-8-20(9-11-21)14-22(17-4-3-5-17)12-16(20)13-24-2/h6-7,16-17H,3-5,8-14H2,1-2H3.
What are the key properties of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone?
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 362.54 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 91910567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).