(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C13H15N3OS — CID 61115824

IUPAC(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESNc1c[nH]c(C(=O)N2CCCC2c2cccs2)c1
InChIInChI=1S/C13H15N3OS/c14-9-7-10(15-8-9)13(17)16-5-1-3-11(16)12-4-2-6-18-12/h2,4,6-8,11,15H,1,3,5,14H2
InChIKeyCHTQVGBLYHGVGN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.64
Rot. Bonds2

About (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 61115824) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID61115824
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESNc1c[nH]c(C(=O)N2CCCC2c2cccs2)c1
InChIInChI=1S/C13H15N3OS/c14-9-7-10(15-8-9)13(17)16-5-1-3-11(16)12-4-2-6-18-12/h2,4,6-8,11,15H,1,3,5,14H2
InChIKeyCHTQVGBLYHGVGN-UHFFFAOYSA-N
XLogP2.64
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-5-methoxyphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 78984399
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103998485
(2-amino-3-methylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115821
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 60958650
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671
(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 167982186
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 61115824) is (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is Nc1c[nH]c(C(=O)N2CCCC2c2cccs2)c1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is CHTQVGBLYHGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-9-7-10(15-8-9)13(17)16-5-1-3-11(16)12-4-2-6-18-12/h2,4,6-8,11,15H,1,3,5,14H2.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 261.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61115824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).