[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone

C17H26N2O2S — CID 87053374

IUPAC[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CC(CN(C)C)C3(CCOCC3)C2)s1
InChIInChI=1S/C17H26N2O2S/c1-13-4-5-15(22-13)16(20)19-11-14(10-18(2)3)17(12-19)6-8-21-9-7-17/h4-5,14H,6-12H2,1-3H3
InChIKeyOWNNPISCYAFXAF-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.49
Rot. Bonds3

About [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone

[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 87053374) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID87053374
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CC(CN(C)C)C3(CCOCC3)C2)s1
InChIInChI=1S/C17H26N2O2S/c1-13-4-5-15(22-13)16(20)19-11-14(10-18(2)3)17(12-19)6-8-21-9-7-17/h4-5,14H,6-12H2,1-3H3
InChIKeyOWNNPISCYAFXAF-UHFFFAOYSA-N
XLogP2.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-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 [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone (CID 87053374) is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CC(CN(C)C)C3(CCOCC3)C2)s1.
What is the InChIKey of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is OWNNPISCYAFXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-4-5-15(22-13)16(20)19-11-14(10-18(2)3)17(12-19)6-8-21-9-7-17/h4-5,14H,6-12H2,1-3H3.
What are the key properties of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone?
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 322.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 87053374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).