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

C16H26N2O3S — CID 3522024

IUPACN-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
SMILESCCC1SC(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)
InChIKeyUWJPTIIJIIPTCE-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.09
Rot. Bonds5

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

N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide (PubChem CID 3522024) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
PubChem CID3522024
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
SMILESCCC1SC(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)
InChIKeyUWJPTIIJIIPTCE-UHFFFAOYSA-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'}

Analyze N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5157994
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
3-(Piperidine-1-carbonyl)-1,4-thiazepan-5-one
CID 71797995
3-(4-Cyclohexylpiperazine-1-carbonyl)-1,4-thiazepan-5-one
CID 71798088
N-propan-2-yl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 72103318
5-(2-Methylsulfanyl-ethyl)-6-oxo-thiomorpholine-3-carboxylic acid (1-propyl-butyl)-amide
CID 59159394
3-(Thian-4-ylamino)piperidin-2-one
CID 62093935
(2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide
CID 95144095
(2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide
CID 22691835
4-[1-(Butylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide
CID 135002030

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide (CID 3522024) is N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide is CCC1SC(CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The InChIKey is UWJPTIIJIIPTCE-UHFFFAOYSA-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).
What are the key properties of N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide?
N-cyclohexyl-2-(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-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide is sourced from PubChem (CID 3522024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).