(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C16H19N3OS — CID 61110583

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCC2c2ccsc2)n(C2CC2)c1
InChIInChI=1S/C16H19N3OS/c17-12-8-15(19(9-12)13-3-4-13)16(20)18-6-1-2-14(18)11-5-7-21-10-11/h5,7-10,13-14H,1-4,6,17H2
InChIKeyJHJVFSIFDJELPL-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.44
Rot. Bonds3

About (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 61110583) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID61110583
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCC2c2ccsc2)n(C2CC2)c1
InChIInChI=1S/C16H19N3OS/c17-12-8-15(19(9-12)13-3-4-13)16(20)18-6-1-2-14(18)11-5-7-21-10-11/h5,7-10,13-14H,1-4,6,17H2
InChIKeyJHJVFSIFDJELPL-UHFFFAOYSA-N
XLogP3.44
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 61109638
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51947990
2,3-dihydro-1-benzofuran-5-yl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948031
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 61110583) is (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is Nc1cc(C(=O)N2CCCC2c2ccsc2)n(C2CC2)c1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is JHJVFSIFDJELPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-12-8-15(19(9-12)13-3-4-13)16(20)18-6-1-2-14(18)11-5-7-21-10-11/h5,7-10,13-14H,1-4,6,17H2.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 301.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61110583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).