N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide

C12H16N2O2S — CID 134026773

IUPACN,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C12H16N2O2S/c1-13(2)12(16)10-4-3-6-14(10)11(15)9-5-7-17-8-9/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyKERGFLURPAQYAY-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.44
Rot. Bonds2

About N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 134026773) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID134026773
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C12H16N2O2S/c1-13(2)12(16)10-4-3-6-14(10)11(15)9-5-7-17-8-9/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyKERGFLURPAQYAY-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 78949483
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
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
(2S)-1-(cyclopenta-1,4-diene-1-carbonyl)-N-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[thiophene-3-carbonyl-[(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768625
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
(2S)-1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768765
1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980480
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098
1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60710234

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide (CID 134026773) is N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1ccsc1.
What is the InChIKey of N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is KERGFLURPAQYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-13(2)12(16)10-4-3-6-14(10)11(15)9-5-7-17-8-9/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134026773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).