(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C11H17N3OS — CID 63166059

IUPAC(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2sccc2N)C1
InChIInChI=1S/C11H17N3OS/c1-13(2)8-3-5-14(7-8)11(15)10-9(12)4-6-16-10/h4,6,8H,3,5,7,12H2,1-2H3
InChIKeyYFQVNEXJUMLTFU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.11
Rot. Bonds2

About (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63166059) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID63166059
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2sccc2N)C1
InChIInChI=1S/C11H17N3OS/c1-13(2)8-3-5-14(7-8)11(15)10-9(12)4-6-16-10/h4,6,8H,3,5,7,12H2,1-2H3
InChIKeyYFQVNEXJUMLTFU-UHFFFAOYSA-N
XLogP1.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-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

(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61109066
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63604493
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167266
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109278
(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407063
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
(3-amino-4-bromophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166595
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136

Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 63166059) is (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2sccc2N)C1.
What is the InChIKey of (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is YFQVNEXJUMLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13(2)8-3-5-14(7-8)11(15)10-9(12)4-6-16-10/h4,6,8H,3,5,7,12H2,1-2H3.
What are the key properties of (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 239.34 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63166059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).