N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide

C16H24N2O3S2 — CID 47055900

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)N(C)C1CCS(=O)(=O)C1)N1CCCC1c1ccsc1
InChIInChI=1S/C16H24N2O3S2/c1-12(16(19)17(2)14-6-9-23(20,21)11-14)18-7-3-4-15(18)13-5-8-22-10-13/h5,8,10,12,14-15H,3-4,6-7,9,11H2,1-2H3
InChIKeyMIFAOHYYZIISOD-UHFFFAOYSA-N
MW356.51 g/mol
LogP1.92
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide (PubChem CID 47055900) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
PubChem CID47055900
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)N(C)C1CCS(=O)(=O)C1)N1CCCC1c1ccsc1
InChIInChI=1S/C16H24N2O3S2/c1-12(16(19)17(2)14-6-9-23(20,21)11-14)18-7-3-4-15(18)13-5-8-22-10-13/h5,8,10,12,14-15H,3-4,6-7,9,11H2,1-2H3
InChIKeyMIFAOHYYZIISOD-UHFFFAOYSA-N
XLogP1.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124860071
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124814028
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250290
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 9248477
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838819
(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032736
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032737
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpropanamide
CID 25377512
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide (CID 47055900) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide is CC(C(=O)N(C)C1CCS(=O)(=O)C1)N1CCCC1c1ccsc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide?
The InChIKey is MIFAOHYYZIISOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-12(16(19)17(2)14-6-9-23(20,21)11-14)18-7-3-4-15(18)13-5-8-22-10-13/h5,8,10,12,14-15H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide has a molecular weight of 356.51 g/mol, XLogP of 1.92, 4 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)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 47055900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).