1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide

C14H22N2O2S — CID 61122914

IUPAC1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide
SMILESCCC1CCC(C(N)=S)(N2C(=O)CCCC2=O)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-10-6-8-14(9-7-10,13(15)19)16-11(17)4-3-5-12(16)18/h10H,2-9H2,1H3,(H2,15,19)
InChIKeyURXUMAMIJJHUPD-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide

1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide (PubChem CID 61122914) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide
PubChem CID61122914
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide
SMILESCCC1CCC(C(N)=S)(N2C(=O)CCCC2=O)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-10-6-8-14(9-7-10,13(15)19)16-11(17)4-3-5-12(16)18/h10H,2-9H2,1H3,(H2,15,19)
InChIKeyURXUMAMIJJHUPD-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 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide?
The IUPAC name of 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide (CID 61122914) is 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide.
What is the SMILES notation for 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide?
The canonical SMILES for 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide is CCC1CCC(C(N)=S)(N2C(=O)CCCC2=O)CC1.
What is the InChIKey of 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide?
The InChIKey is URXUMAMIJJHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-10-6-8-14(9-7-10,13(15)19)16-11(17)4-3-5-12(16)18/h10H,2-9H2,1H3,(H2,15,19).
What are the key properties of 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide?
1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide 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 1-(2,6-dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide is sourced from PubChem (CID 61122914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).