3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide

C13H20N2OS — CID 81409107

IUPAC3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@H](C)c2cccs2)CCNC1
InChIInChI=1S/C13H20N2OS/c1-3-13(6-7-14-9-13)12(16)15-10(2)11-5-4-8-17-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,15,16)/t10-,13?/m1/s1
InChIKeyXOACIUMGQPMOBC-VUUHIHSGSA-N
MW252.38 g/mol
LogP2.32
Rot. Bonds4

About 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide

3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide (PubChem CID 81409107) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
PubChem CID81409107
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@H](C)c2cccs2)CCNC1
InChIInChI=1S/C13H20N2OS/c1-3-13(6-7-14-9-13)12(16)15-10(2)11-5-4-8-17-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,15,16)/t10-,13?/m1/s1
InChIKeyXOACIUMGQPMOBC-VUUHIHSGSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896
3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 63130877
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63141842
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 55165732
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide (CID 81409107) is 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide is CCC1(C(=O)N[C@H](C)c2cccs2)CCNC1.
What is the InChIKey of 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide?
The InChIKey is XOACIUMGQPMOBC-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-13(6-7-14-9-13)12(16)15-10(2)11-5-4-8-17-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,15,16)/t10-,13?/m1/s1.
What are the key properties of 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 81409107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).