1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide

C12H15IN2O2S — CID 78949483

IUPAC1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C12H15IN2O2S/c1-14(2)12(17)9-4-3-5-15(9)11(16)8-6-10(13)18-7-8/h6-7,9H,3-5H2,1-2H3
InChIKeyJRVJOGQQGVWELX-UHFFFAOYSA-N
MW378.24 g/mol
LogP2.05
Rot. Bonds2

About 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 78949483) has the molecular formula C12H15IN2O2S and a molecular weight of 378.24 g/mol. Its IUPAC name is 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID78949483
Molecular FormulaC12H15IN2O2S
Molecular Weight378.24 g/mol
Exact Mass377.99
IUPAC Name1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C12H15IN2O2S/c1-14(2)12(17)9-4-3-5-15(9)11(16)8-6-10(13)18-7-8/h6-7,9H,3-5H2,1-2H3
InChIKeyJRVJOGQQGVWELX-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 81002522
ethyl 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 81482957
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119631709
(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 78949928
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 86915871
N,N-dimethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43420149

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 78949483) is 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is JRVJOGQQGVWELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2S/c1-14(2)12(17)9-4-3-5-15(9)11(16)8-6-10(13)18-7-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 378.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 78949483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).