N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide

C16H28N2O4S — CID 113005081

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C(C)C)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H28N2O4S/c1-4-18(14-7-10-23(21,22)11-14)16(20)13-5-8-17(9-6-13)15(19)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyARXDATASYPPWIJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP0.92
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 113005081) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID113005081
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C(C)C)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H28N2O4S/c1-4-18(14-7-10-23(21,22)11-14)16(20)13-5-8-17(9-6-13)15(19)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyARXDATASYPPWIJ-UHFFFAOYSA-N
XLogP0.92
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145629
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(morpholine-4-carbonyl)cyclohexane-1-carboxamide
CID 109146781
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113181964
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpiperidin-4-yl)acetamide
CID 110754658
1-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113183089
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide
CID 110682084
1-butyl-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113182011
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149349
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110853781

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 113005081) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)C(C)C)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is ARXDATASYPPWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-4-18(14-7-10-23(21,22)11-14)16(20)13-5-8-17(9-6-13)15(19)12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).