N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide

C11H20N2O4S — CID 61214617

IUPACN-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H20N2O4S/c1-13(8-3-4-18(15,16)7-8)11(14)10-5-9(17-2)6-12-10/h8-10,12H,3-7H2,1-2H3
InChIKeyIQXHLEOMMQUOMT-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.99
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 61214617) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID61214617
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H20N2O4S/c1-13(8-3-4-18(15,16)7-8)11(14)10-5-9(17-2)6-12-10/h8-10,12H,3-7H2,1-2H3
InChIKeyIQXHLEOMMQUOMT-UHFFFAOYSA-N
XLogP-0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide 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

(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 22691367
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-2-carboxamide
CID 103807849
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 60937739
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356032
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylcarbamodithioate
CID 7058890
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
potassium N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate
CID 2772232
N-(2-ethoxyethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 81059751

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide (CID 61214617) is N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide is COC1CNC(C(=O)N(C)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is IQXHLEOMMQUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-13(8-3-4-18(15,16)7-8)11(14)10-5-9(17-2)6-12-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61214617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).