1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide

C11H16N2O2S — CID 61122508

IUPAC1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(N2C(=O)CCCC2=O)CCCC1
InChIInChI=1S/C11H16N2O2S/c12-10(16)11(6-1-2-7-11)13-8(14)4-3-5-9(13)15/h1-7H2,(H2,12,16)
InChIKeyDWFYFAVZEHATDS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.12
Rot. Bonds2

About 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide

1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide (PubChem CID 61122508) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide
PubChem CID61122508
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(N2C(=O)CCCC2=O)CCCC1
InChIInChI=1S/C11H16N2O2S/c12-10(16)11(6-1-2-7-11)13-8(14)4-3-5-9(13)15/h1-7H2,(H2,12,16)
InChIKeyDWFYFAVZEHATDS-UHFFFAOYSA-N
XLogP1.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.12
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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Related Compounds

CID 55156740
CID 55156740
CID 55156913
CID 55156913
CID 61120050
CID 61120050
CID 61120448
CID 61120448
CID 61121920
CID 61121920
CID 61121923
CID 61121923
CID 61122128
CID 61122128
CID 61122720
CID 61122720
CID 61123127
CID 61123127
CID 61123321
CID 61123321
CID 61123709
CID 61123709
CID 61123956
CID 61123956

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide (CID 61122508) is 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide is NC(=S)C1(N2C(=O)CCCC2=O)CCCC1.
What is the InChIKey of 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide?
The InChIKey is DWFYFAVZEHATDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-10(16)11(6-1-2-7-11)13-8(14)4-3-5-9(13)15/h1-7H2,(H2,12,16).
What are the key properties of 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide?
1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide has a molecular weight of 240.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxopiperidin-1-yl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61122508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).