5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one

C14H23N3OS — CID 103967892

IUPAC5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2=NCC3(CCCCC3)CS2)CN1
InChIInChI=1S/C14H23N3OS/c18-12-5-4-11(8-15-12)17-13-16-9-14(10-19-13)6-2-1-3-7-14/h11H,1-10H2,(H,15,18)(H,16,17)
InChIKeyDVYIMAOJHATZAA-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.91
Rot. Bonds1

About 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one

5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one (PubChem CID 103967892) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one
PubChem CID103967892
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2=NCC3(CCCCC3)CS2)CN1
InChIInChI=1S/C14H23N3OS/c18-12-5-4-11(8-15-12)17-13-16-9-14(10-19-13)6-2-1-3-7-14/h11H,1-10H2,(H,15,18)(H,16,17)
InChIKeyDVYIMAOJHATZAA-UHFFFAOYSA-N
XLogP1.91
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one 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 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one?
The IUPAC name of 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one (CID 103967892) is 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one.
What is the SMILES notation for 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one?
The canonical SMILES for 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one is O=C1CCC(NC2=NCC3(CCCCC3)CS2)CN1.
What is the InChIKey of 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one?
The InChIKey is DVYIMAOJHATZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c18-12-5-4-11(8-15-12)17-13-16-9-14(10-19-13)6-2-1-3-7-14/h11H,1-10H2,(H,15,18)(H,16,17).
What are the key properties of 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one?
5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one has a molecular weight of 281.42 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one is sourced from PubChem (CID 103967892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).