9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one

C14H18N2O2S — CID 97370792

IUPAC9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(C(=O)c3cccs3)CC2)N1
InChIInChI=1S/C14H18N2O2S/c17-12-4-1-5-14(15-12)6-8-16(9-7-14)13(18)11-3-2-10-19-11/h2-3,10H,1,4-9H2,(H,15,17)
InChIKeyPEZVVIVBLOFRRV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.02
Rot. Bonds1

About 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one

9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 97370792) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID97370792
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(C(=O)c3cccs3)CC2)N1
InChIInChI=1S/C14H18N2O2S/c17-12-4-1-5-14(15-12)6-8-16(9-7-14)13(18)11-3-2-10-19-11/h2-3,10H,1,4-9H2,(H,15,17)
InChIKeyPEZVVIVBLOFRRV-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450518
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131649587
1-(thiophene-2-carbonyl)pyrrolidin-3-one
CID 112536071
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699

Frequently Asked Questions

What is the IUPAC name of 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one (CID 97370792) is 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one is O=C1CCCC2(CCN(C(=O)c3cccs3)CC2)N1.
What is the InChIKey of 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is PEZVVIVBLOFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-12-4-1-5-14(15-12)6-8-16(9-7-14)13(18)11-3-2-10-19-11/h2-3,10H,1,4-9H2,(H,15,17).
What are the key properties of 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one?
9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97370792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).