9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C14H18N2O2S — CID 131680253

IUPAC9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3ccsc3)CC2)CN1
InChIInChI=1S/C14H18N2O2S/c17-12-1-3-14(10-15-12)4-6-16(7-5-14)13(18)11-2-8-19-9-11/h2,8-9H,1,3-7,10H2,(H,15,17)
InChIKeyIPAYJTMIFACADV-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.88
Rot. Bonds1

About 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131680253) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID131680253
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3ccsc3)CC2)CN1
InChIInChI=1S/C14H18N2O2S/c17-12-1-3-14(10-15-12)4-6-16(7-5-14)13(18)11-2-8-19-9-11/h2,8-9H,1,3-7,10H2,(H,15,17)
InChIKeyIPAYJTMIFACADV-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469996
(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone
CID 24699677
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 135110778
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896666
9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 121499610
[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-thiophen-3-ylmethanone
CID 99972021
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090

Frequently Asked Questions

What is the IUPAC name of 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 131680253) is 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)c3ccsc3)CC2)CN1.
What is the InChIKey of 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IPAYJTMIFACADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-12-1-3-14(10-15-12)4-6-16(7-5-14)13(18)11-2-8-19-9-11/h2,8-9H,1,3-7,10H2,(H,15,17).
What are the key properties of 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 278.38 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131680253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).