3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide

C14H22N2OS — CID 55165732

IUPAC3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)Cc2ccsc2)CCNC1
InChIInChI=1S/C14H22N2OS/c1-3-14(5-6-15-10-14)13(17)16-11(2)8-12-4-7-18-9-12/h4,7,9,11,15H,3,5-6,8,10H2,1-2H3,(H,16,17)
InChIKeyHFAIBDUOOFSZGG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.18
Rot. Bonds5

About 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide

3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 55165732) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
PubChem CID55165732
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)Cc2ccsc2)CCNC1
InChIInChI=1S/C14H22N2OS/c1-3-14(5-6-15-10-14)13(17)16-11(2)8-12-4-7-18-9-12/h4,7,9,11,15H,3,5-6,8,10H2,1-2H3,(H,16,17)
InChIKeyHFAIBDUOOFSZGG-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
CID 116570374
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78994589
1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116568659
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64553804
2-(1-aminocyclobutyl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 79853944

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide (CID 55165732) is 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide is CCC1(C(=O)NC(C)Cc2ccsc2)CCNC1.
What is the InChIKey of 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is HFAIBDUOOFSZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-14(5-6-15-10-14)13(17)16-11(2)8-12-4-7-18-9-12/h4,7,9,11,15H,3,5-6,8,10H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide?
3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55165732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).