2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C17H27N3OS — CID 119933460

IUPAC2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCNCC12CCCCC2)c1cccs1
InChIInChI=1S/C17H27N3OS/c1-14(15-6-5-11-22-15)19-16(21)12-20-10-9-18-13-17(20)7-3-2-4-8-17/h5-6,11,14,18H,2-4,7-10,12-13H2,1H3,(H,19,21)
InChIKeyUDVQHILHIZYIRG-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.53
Rot. Bonds4

About 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 119933460) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID119933460
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCNCC12CCCCC2)c1cccs1
InChIInChI=1S/C17H27N3OS/c1-14(15-6-5-11-22-15)19-16(21)12-20-10-9-18-13-17(20)7-3-2-4-8-17/h5-6,11,14,18H,2-4,7-10,12-13H2,1H3,(H,19,21)
InChIKeyUDVQHILHIZYIRG-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide 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-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 119933460) is 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN1CCNCC12CCCCC2)c1cccs1.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is UDVQHILHIZYIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-14(15-6-5-11-22-15)19-16(21)12-20-10-9-18-13-17(20)7-3-2-4-8-17/h5-6,11,14,18H,2-4,7-10,12-13H2,1H3,(H,19,21).
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 321.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 119933460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).