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

C14H20N2O2S — CID 66250250

IUPAC(4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2ccsc2)COCC1N
InChIInChI=1S/C14H20N2O2S/c1-14(9-18-7-12(14)15)13(17)16-5-2-3-11(16)10-4-6-19-8-10/h4,6,8,11-12H,2-3,5,7,9,15H2,1H3
InChIKeyMENBNIMMBZTVJL-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.78
Rot. Bonds2

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

(4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 66250250) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID66250250
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2ccsc2)COCC1N
InChIInChI=1S/C14H20N2O2S/c1-14(9-18-7-12(14)15)13(17)16-5-2-3-11(16)10-4-6-19-8-10/h4,6,8,11-12H,2-3,5,7,9,15H2,1H3
InChIKeyMENBNIMMBZTVJL-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-3-methyloxolan-3-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

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 66250250) is (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is CC1(C(=O)N2CCCC2c2ccsc2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is MENBNIMMBZTVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(9-18-7-12(14)15)13(17)16-5-2-3-11(16)10-4-6-19-8-10/h4,6,8,11-12H,2-3,5,7,9,15H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 280.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66250250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).