ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate

C12H16N2O3S — CID 60717312

IUPACethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCCN1
InChIInChI=1S/C12H16N2O3S/c1-2-17-12(16)8-5-7-18-11(8)14-10(15)9-4-3-6-13-9/h5,7,9,13H,2-4,6H2,1H3,(H,14,15)
InChIKeyHWNSTUPJMHAKMC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.62
Rot. Bonds4

About ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate

ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 60717312) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
PubChem CID60717312
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Nameethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCCN1
InChIInChI=1S/C12H16N2O3S/c1-2-17-12(16)8-5-7-18-11(8)14-10(15)9-4-3-6-13-9/h5,7,9,13H,2-4,6H2,1H3,(H,14,15)
InChIKeyHWNSTUPJMHAKMC-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trichloroethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate
CID 171346399
N-(3-carbamoylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 61254641
ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate
CID 107435879
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 112729095
ethyl 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]thiophene-3-carboxylate
CID 79207789
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
ethyl 2-[[(2R)-pyrrolidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 104901069
(1S,2S,3R,4S)-3-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18557780
ethyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 62838370
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate (CID 60717312) is ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)C1CCCN1.
What is the InChIKey of ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is HWNSTUPJMHAKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-17-12(16)8-5-7-18-11(8)14-10(15)9-4-3-6-13-9/h5,7,9,13H,2-4,6H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate?
ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 268.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 60717312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).