N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide

C16H26N2O3S — CID 2148325

IUPACN-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
SMILESCC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C16H26N2O3S/c1-3-12-15(20)18(16(21)13(4-2)22-12)10-14(19)17-11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyUWJPTIIJIIPTCE-STQMWFEESA-N
MW326.46 g/mol
LogP2.09
Rot. Bonds5

About N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide

N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide (PubChem CID 2148325) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
PubChem CID2148325
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
SMILESCC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C16H26N2O3S/c1-3-12-15(20)18(16(21)13(4-2)22-12)10-14(19)17-11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyUWJPTIIJIIPTCE-STQMWFEESA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide
CID 71882417
N-cyclohexyl-2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide
CID 3534274
N-cyclohexyl-2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetamide
CID 1216809
N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 2937577
N-cyclohexyl-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2439184
N-cyclohexyl-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624888
N-cyclopentyl-2-(3-ethyl-4-oxopiperidin-1-yl)acetamide
CID 114508966
N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574753
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
CID 43255031

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide (CID 2148325) is N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide is CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The InChIKey is UWJPTIIJIIPTCE-STQMWFEESA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-12-15(20)18(16(21)13(4-2)22-12)10-14(19)17-11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide?
N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide is sourced from PubChem (CID 2148325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).