6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C16H25N3OS — CID 83252441

IUPAC6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCN(CC)CC(C)N1C(=O)C2(CC2)NC1c1cccs1
InChIInChI=1S/C16H25N3OS/c1-4-18(5-2)11-12(3)19-14(13-7-6-10-21-13)17-16(8-9-16)15(19)20/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyOYYACAUCUCVFNP-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.44
Rot. Bonds6

About 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83252441) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83252441
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCN(CC)CC(C)N1C(=O)C2(CC2)NC1c1cccs1
InChIInChI=1S/C16H25N3OS/c1-4-18(5-2)11-12(3)19-14(13-7-6-10-21-13)17-16(8-9-16)15(19)20/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyOYYACAUCUCVFNP-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83252441) is 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CCN(CC)CC(C)N1C(=O)C2(CC2)NC1c1cccs1.
What is the InChIKey of 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is OYYACAUCUCVFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-18(5-2)11-12(3)19-14(13-7-6-10-21-13)17-16(8-9-16)15(19)20/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 307.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83252441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).