3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione

C11H13ClN2O2S — CID 54955058

IUPAC3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2O2S/c1-6(8-3-4-9(12)17-8)13-7-5-10(15)14(2)11(7)16/h3-4,6-7,13H,5H2,1-2H3
InChIKeyDTAAYFCRXFCKJT-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.81
Rot. Bonds3

About 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione

3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 54955058) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID54955058
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2O2S/c1-6(8-3-4-9(12)17-8)13-7-5-10(15)14(2)11(7)16/h3-4,6-7,13H,5H2,1-2H3
InChIKeyDTAAYFCRXFCKJT-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 45236630
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45812869
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 45814262
N-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 45882352
3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide
CID 51077583
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide
CID 51077584
5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 71789241
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
5-({(2S)-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-2-yl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201462
N-[(5-chloro-2-thienyl)methyl]-2-(2,5-dioxo-1-imidazolidinyl)acetamide
CID 29220105
4-[2-[(5-Chlorothiophen-2-yl)methyl-ethylamino]acetyl]piperazin-2-one
CID 31686628
(2S)-2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 36350564

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione (CID 54955058) is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione is CC(NC1CC(=O)N(C)C1=O)c1ccc(Cl)s1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is DTAAYFCRXFCKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-6(8-3-4-9(12)17-8)13-7-5-10(15)14(2)11(7)16/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione?
3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 272.76 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 54955058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).