N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide

C16H28N2O5S — CID 108523496

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide
SMILESCCC1CCCCN1C(=O)C(=O)N(CCOC)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H28N2O5S/c1-3-13-6-4-5-8-17(13)15(19)16(20)18(9-10-23-2)14-7-11-24(21,22)12-14/h13-14H,3-12H2,1-2H3
InChIKeyPMILJXZFJJUCSG-UHFFFAOYSA-N
MW360.48 g/mol
LogP0.44
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide

N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide (PubChem CID 108523496) has the molecular formula C16H28N2O5S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide
PubChem CID108523496
Molecular FormulaC16H28N2O5S
Molecular Weight360.48 g/mol
Exact Mass360.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide
SMILESCCC1CCCCN1C(=O)C(=O)N(CCOC)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H28N2O5S/c1-3-13-6-4-5-8-17(13)15(19)16(20)18(9-10-23-2)14-7-11-24(21,22)12-14/h13-14H,3-12H2,1-2H3
InChIKeyPMILJXZFJJUCSG-UHFFFAOYSA-N
XLogP0.44
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide with MolForge

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Related Compounds

ethyl 4-[2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108527336
N-tert-butyl-N'-(1,1-dioxothiolan-3-yl)-N-ethyl-N'-(2-methoxyethyl)oxamide
CID 108527290
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
4-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992822
N-butan-2-yl-N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)oxamide
CID 108505466
2-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 108507035
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
N'-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-N'-(2-methoxyethyl)oxamide
CID 108527246
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide (CID 108523496) is N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide is CCC1CCCCN1C(=O)C(=O)N(CCOC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide?
The InChIKey is PMILJXZFJJUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5S/c1-3-13-6-4-5-8-17(13)15(19)16(20)18(9-10-23-2)14-7-11-24(21,22)12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide has a molecular weight of 360.48 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-2-oxoacetamide is sourced from PubChem (CID 108523496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).