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

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Related Compounds

1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione
CID 103967957
5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
CID 106875729
5-(cycloheptylamino)piperidin-2-one
CID 63379089
N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114101129
5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one
CID 63662841
1-methyl-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 78953464
N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967670
N-(2,4,5-trifluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967856
1-amino-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307576
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119152554
5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80834056
N-(3,4-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967592

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).