3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid

C10H14N2O4S — CID 90984482

IUPAC3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESCCN1C(=O)SC2(CCCN(C(=O)O)C2)C1=O
InChIInChI=1S/C10H14N2O4S/c1-2-12-7(13)10(17-9(12)16)4-3-5-11(6-10)8(14)15/h2-6H2,1H3,(H,14,15)
InChIKeySPLZHVZTMASBRP-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.21
Rot. Bonds1

About 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid

3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid (PubChem CID 90984482) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid
PubChem CID90984482
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESCCN1C(=O)SC2(CCCN(C(=O)O)C2)C1=O
InChIInChI=1S/C10H14N2O4S/c1-2-12-7(13)10(17-9(12)16)4-3-5-11(6-10)8(14)15/h2-6H2,1H3,(H,14,15)
InChIKeySPLZHVZTMASBRP-UHFFFAOYSA-N
XLogP1.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

[3-[4-(3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 59373310
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
(5S)-1-oxo-2-(4-triethylsilyloxycyclohexyl)-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 68747143
1-(3,3-diethylpiperidin-1-yl)ethanone
CID 89177702
(5R)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 67504947
(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 140624874
3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
CID 123427706
2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 141350023
1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 142790989
azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 118447951
1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
CID 130861327

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid?
The IUPAC name of 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid (CID 90984482) is 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid is CCN1C(=O)SC2(CCCN(C(=O)O)C2)C1=O.
What is the InChIKey of 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid?
The InChIKey is SPLZHVZTMASBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-12-7(13)10(17-9(12)16)4-3-5-11(6-10)8(14)15/h2-6H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid?
3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 90984482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).