1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide

C15H22N2O2S — CID 61121920

IUPAC1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(N2C(=O)CC3(CCCC3)CC2=O)CCCC1
InChIInChI=1S/C15H22N2O2S/c16-13(20)15(7-3-4-8-15)17-11(18)9-14(10-12(17)19)5-1-2-6-14/h1-10H2,(H2,16,20)
InChIKeyQZUFZDHEKALHDU-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.29
Rot. Bonds2

About 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide

1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide (PubChem CID 61121920) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide
PubChem CID61121920
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(N2C(=O)CC3(CCCC3)CC2=O)CCCC1
InChIInChI=1S/C15H22N2O2S/c16-13(20)15(7-3-4-8-15)17-11(18)9-14(10-12(17)19)5-1-2-6-14/h1-10H2,(H2,16,20)
InChIKeyQZUFZDHEKALHDU-UHFFFAOYSA-N
XLogP2.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.29
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 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide (CID 61121920) is 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide is NC(=S)C1(N2C(=O)CC3(CCCC3)CC2=O)CCCC1.
What is the InChIKey of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide?
The InChIKey is QZUFZDHEKALHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-13(20)15(7-3-4-8-15)17-11(18)9-14(10-12(17)19)5-1-2-6-14/h1-10H2,(H2,16,20).
What are the key properties of 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide?
1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide has a molecular weight of 294.42 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61121920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).