2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide

C14H22N2O2S — CID 61122702

IUPAC2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide
SMILESCCC(C(N)=S)N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C14H22N2O2S/c1-2-10(13(15)19)16-11(17)8-14(9-12(16)18)6-4-3-5-7-14/h10H,2-9H2,1H3,(H2,15,19)
InChIKeyMWNSZCUJDPMRSE-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.15
Rot. Bonds3

About 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide

2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide (PubChem CID 61122702) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide
PubChem CID61122702
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide
SMILESCCC(C(N)=S)N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C14H22N2O2S/c1-2-10(13(15)19)16-11(17)8-14(9-12(16)18)6-4-3-5-7-14/h10H,2-9H2,1H3,(H2,15,19)
InChIKeyMWNSZCUJDPMRSE-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide?
The IUPAC name of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide (CID 61122702) is 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide.
What is the SMILES notation for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide?
The canonical SMILES for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide is CCC(C(N)=S)N1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide?
The InChIKey is MWNSZCUJDPMRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-10(13(15)19)16-11(17)8-14(9-12(16)18)6-4-3-5-7-14/h10H,2-9H2,1H3,(H2,15,19).
What are the key properties of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide?
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide has a molecular weight of 282.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide is sourced from PubChem (CID 61122702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).