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

C12H20N2O4S — CID 110682084

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCNC(=O)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O4S/c1-2-14(10-4-6-19(17,18)8-10)12(16)9-3-5-13-11(15)7-9/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyQNHXMEARYWOAKB-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.45
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide (PubChem CID 110682084) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide
PubChem CID110682084
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCNC(=O)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O4S/c1-2-14(10-4-6-19(17,18)8-10)12(16)9-3-5-13-11(15)7-9/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyQNHXMEARYWOAKB-UHFFFAOYSA-N
XLogP-0.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113181964
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 113181982
1-butyl-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113182011
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901995
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145629
N-ethyl-1,1-dioxo-N-pyrrolidin-3-ylthiolane-3-carboxamide
CID 63299474
1-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113183089
1-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113186047
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95248653
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005081

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide (CID 110682084) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide is CCN(C(=O)C1CCNC(=O)C1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide?
The InChIKey is QNHXMEARYWOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-2-14(10-4-6-19(17,18)8-10)12(16)9-3-5-13-11(15)7-9/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide has a molecular weight of 288.37 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 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-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 110682084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).