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

C19H28N2O2S — CID 91921845

IUPAC[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(C2CCC2)CC3CO)s1
InChIInChI=1S/C19H28N2O2S/c1-14-5-6-17(24-14)18(23)20-9-7-19(8-10-20)13-21(11-15(19)12-22)16-3-2-4-16/h5-6,15-16,22H,2-4,7-13H2,1H3
InChIKeyJAFIMBRNLQSGQZ-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.76
Rot. Bonds3

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

[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 91921845) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID91921845
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(C2CCC2)CC3CO)s1
InChIInChI=1S/C19H28N2O2S/c1-14-5-6-17(24-14)18(23)20-9-7-19(8-10-20)13-21(11-15(19)12-22)16-3-2-4-16/h5-6,15-16,22H,2-4,7-13H2,1H3
InChIKeyJAFIMBRNLQSGQZ-UHFFFAOYSA-N
XLogP2.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-cyclobutyl-4-(hydroxymethyl)-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-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone (CID 91921845) is [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)CN(C2CCC2)CC3CO)s1.
What is the InChIKey of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is JAFIMBRNLQSGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-5-6-17(24-14)18(23)20-9-7-19(8-10-20)13-21(11-15(19)12-22)16-3-2-4-16/h5-6,15-16,22H,2-4,7-13H2,1H3.
What are the key properties of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone?
[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 348.51 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 91921845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).