3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one

C16H25N3OS — CID 83245439

IUPAC3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCN(C)CCCN1C(=O)C2(CCCC2)NC1c1ccsc1
InChIInChI=1S/C16H25N3OS/c1-18(2)9-5-10-19-14(13-6-11-21-12-13)17-16(15(19)20)7-3-4-8-16/h6,11-12,14,17H,3-5,7-10H2,1-2H3
InChIKeyVQWBIXHJVPYUCL-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.44
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one

3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83245439) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83245439
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCN(C)CCCN1C(=O)C2(CCCC2)NC1c1ccsc1
InChIInChI=1S/C16H25N3OS/c1-18(2)9-5-10-19-14(13-6-11-21-12-13)17-16(15(19)20)7-3-4-8-16/h6,11-12,14,17H,3-5,7-10H2,1-2H3
InChIKeyVQWBIXHJVPYUCL-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245133
3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245812
3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
3-[4-(dimethylamino)butyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83247462
6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245466
3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246938
3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245135
6-(1,4-dioxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246552
5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252874
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253794

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one (CID 83245439) is 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one is CN(C)CCCN1C(=O)C2(CCCC2)NC1c1ccsc1.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is VQWBIXHJVPYUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-18(2)9-5-10-19-14(13-6-11-21-12-13)17-16(15(19)20)7-3-4-8-16/h6,11-12,14,17H,3-5,7-10H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 307.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83245439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).