2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide

C14H22N2O2S — CID 61121033

IUPAC2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H22N2O2S/c1-13(2,11(15)19)16-10(17)9-14(12(16)18)7-5-3-4-6-8-14/h3-9H2,1-2H3,(H2,15,19)
InChIKeyYMOXPUZCSUHJNP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.15
Rot. Bonds2

About 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide

2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide (PubChem CID 61121033) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide
PubChem CID61121033
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H22N2O2S/c1-13(2,11(15)19)16-10(17)9-14(12(16)18)7-5-3-4-6-8-14/h3-9H2,1-2H3,(H2,15,19)
InChIKeyYMOXPUZCSUHJNP-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide (CID 61121033) is 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide is CC(C)(C(N)=S)N1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide?
The InChIKey is YMOXPUZCSUHJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-13(2,11(15)19)16-10(17)9-14(12(16)18)7-5-3-4-6-8-14/h3-9H2,1-2H3,(H2,15,19).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide?
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide has a molecular weight of 282.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide is sourced from PubChem (CID 61121033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).