2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide

C13H20N2O2S — CID 61121934

IUPAC2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide
SMILESNC(=S)C(C1CCCCC1)N1C(=O)CCCC1=O
InChIInChI=1S/C13H20N2O2S/c14-13(18)12(9-5-2-1-3-6-9)15-10(16)7-4-8-11(15)17/h9,12H,1-8H2,(H2,14,18)
InChIKeyUJYLDKIBNBZMDB-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.76
Rot. Bonds3

About 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide

2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide (PubChem CID 61121934) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide
PubChem CID61121934
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide
SMILESNC(=S)C(C1CCCCC1)N1C(=O)CCCC1=O
InChIInChI=1S/C13H20N2O2S/c14-13(18)12(9-5-2-1-3-6-9)15-10(16)7-4-8-11(15)17/h9,12H,1-8H2,(H2,14,18)
InChIKeyUJYLDKIBNBZMDB-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.76
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

1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one
CID 70316929
2-(4,4-Dimethyl-2,6-dioxopiperidin-1-yl)pentanethioamide
CID 55156723
1-(4-Methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carbothioamide
CID 55156740
2-[4-(Cyclohexanecarbonyl)piperazin-1-yl]ethanethioamide
CID 55203485
1-(2,6-Dioxopiperidin-1-yl)cyclohexane-1-carbothioamide
CID 61121923
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)pentanethioamide
CID 61122308
2-Cyclohexyl-2-(2,7-dioxoazepan-1-yl)ethanethioamide
CID 61122328
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide
CID 61122702
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)propanethioamide
CID 61123698
2-Cyclohexyl-2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethanethioamide
CID 61124324
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)ethanethioamide
CID 61127513
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-cyclohexyl-N-methylpropanamide
CID 61886420

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide (CID 61121934) is 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide is NC(=S)C(C1CCCCC1)N1C(=O)CCCC1=O.
What is the InChIKey of 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide?
The InChIKey is UJYLDKIBNBZMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-13(18)12(9-5-2-1-3-6-9)15-10(16)7-4-8-11(15)17/h9,12H,1-8H2,(H2,14,18).
What are the key properties of 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide?
2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide has a molecular weight of 268.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)ethanethioamide is sourced from PubChem (CID 61121934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).