5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide

C15H22N2O3S2 — CID 128724267

IUPAC5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide
SMILESO=C(NCCc1ccsc1)N1CCC2(CCC2)S(=O)(=O)CC1
InChIInChI=1S/C15H22N2O3S2/c18-14(16-7-2-13-3-10-21-12-13)17-8-6-15(4-1-5-15)22(19,20)11-9-17/h3,10,12H,1-2,4-9,11H2,(H,16,18)
InChIKeyQMXNSVRQZSUXDR-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.04
Rot. Bonds3

About 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide

5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide (PubChem CID 128724267) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide.

Molecular Properties

Compound Name5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide
PubChem CID128724267
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide
SMILESO=C(NCCc1ccsc1)N1CCC2(CCC2)S(=O)(=O)CC1
InChIInChI=1S/C15H22N2O3S2/c18-14(16-7-2-13-3-10-21-12-13)17-8-6-15(4-1-5-15)22(19,20)11-9-17/h3,10,12H,1-2,4-9,11H2,(H,16,18)
InChIKeyQMXNSVRQZSUXDR-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide with MolForge

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Related Compounds

4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985
N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 130650634
1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 115448466
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
(2R)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402913
(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402914
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358
3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071458
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
4-[[(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carbonyl)amino]methyl]benzoic acid
CID 122020140
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide?
The IUPAC name of 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide (CID 128724267) is 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide.
What is the SMILES notation for 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide?
The canonical SMILES for 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide is O=C(NCCc1ccsc1)N1CCC2(CCC2)S(=O)(=O)CC1.
What is the InChIKey of 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide?
The InChIKey is QMXNSVRQZSUXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c18-14(16-7-2-13-3-10-21-12-13)17-8-6-15(4-1-5-15)22(19,20)11-9-17/h3,10,12H,1-2,4-9,11H2,(H,16,18).
What are the key properties of 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide?
5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N-(2-thiophen-3-ylethyl)-5λ6-thia-8-azaspiro[3.6]decane-8-carboxamide is sourced from PubChem (CID 128724267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).