6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C14H21N3OS — CID 83249157

IUPAC6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(CN1C(=O)C2(CC2)NC1c1cccs1)N(C)C
InChIInChI=1S/C14H21N3OS/c1-10(16(2)3)9-17-12(11-5-4-8-19-11)15-14(6-7-14)13(17)18/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyGOULSCAAHZJIFC-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.66
Rot. Bonds4

About 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83249157) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83249157
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(CN1C(=O)C2(CC2)NC1c1cccs1)N(C)C
InChIInChI=1S/C14H21N3OS/c1-10(16(2)3)9-17-12(11-5-4-8-19-11)15-14(6-7-14)13(17)18/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyGOULSCAAHZJIFC-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(dimethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260615
6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252441
5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83252277
6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83250421
6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247835
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270276
5-thiophen-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83264204
3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83238689
3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83253324
5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267284
6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83269807

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83249157) is 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC(CN1C(=O)C2(CC2)NC1c1cccs1)N(C)C.
What is the InChIKey of 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is GOULSCAAHZJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(16(2)3)9-17-12(11-5-4-8-19-11)15-14(6-7-14)13(17)18/h4-5,8,10,12,15H,6-7,9H2,1-3H3.
What are the key properties of 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 279.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83249157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).