methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate

C15H18N2O2S — CID 97062673

IUPACmethyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC[C@H]2c2ccc[nH]2)s1
InChIInChI=1S/C15H18N2O2S/c1-19-15(18)14-7-6-11(20-14)10-17-9-3-5-13(17)12-4-2-8-16-12/h2,4,6-8,13,16H,3,5,9-10H2,1H3/t13-/m0/s1
InChIKeyQVLLHRNODGTPEL-ZDUSSCGKSA-N
MW290.39 g/mol
LogP3.20
Rot. Bonds4

About methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate

methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate (PubChem CID 97062673) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate
PubChem CID97062673
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC[C@H]2c2ccc[nH]2)s1
InChIInChI=1S/C15H18N2O2S/c1-19-15(18)14-7-6-11(20-14)10-17-9-3-5-13(17)12-4-2-8-16-12/h2,4,6-8,13,16H,3,5,9-10H2,1H3/t13-/m0/s1
InChIKeyQVLLHRNODGTPEL-ZDUSSCGKSA-N
XLogP3.20
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 78900937
methyl 5-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-ylmethyl)thiophene-2-carboxylate
CID 71920611
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568
5-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861570
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 138030445
methyl 5-[[(2S,6S)-2-(hydroxymethyl)-6-methylpiperidin-1-yl]methyl]thiophene-2-carboxylate
CID 97343816
7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one
CID 94819631
2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 54872842
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 51984005
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate (CID 97062673) is methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate is COC(=O)c1ccc(CN2CCC[C@H]2c2ccc[nH]2)s1.
What is the InChIKey of methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate?
The InChIKey is QVLLHRNODGTPEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-15(18)14-7-6-11(20-14)10-17-9-3-5-13(17)12-4-2-8-16-12/h2,4,6-8,13,16H,3,5,9-10H2,1H3/t13-/m0/s1.
What are the key properties of methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate?
methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 97062673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).