[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone

C17H19ClN2OS — CID 166384324

IUPAC[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)C[C@H]1CN
InChIInChI=1S/C17H19ClN2OS/c1-11-9-20(10-13(11)8-19)17(21)16-6-5-15(22-16)12-3-2-4-14(18)7-12/h2-7,11,13H,8-10,19H2,1H3/t11-,13-/m1/s1
InChIKeySAZXVZYHHFXARV-DGCLKSJQSA-N
MW334.87 g/mol
LogP3.74
Rot. Bonds3

About [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone

[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone (PubChem CID 166384324) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone
PubChem CID166384324
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)C[C@H]1CN
InChIInChI=1S/C17H19ClN2OS/c1-11-9-20(10-13(11)8-19)17(21)16-6-5-15(22-16)12-3-2-4-14(18)7-12/h2-7,11,13H,8-10,19H2,1H3/t11-,13-/m1/s1
InChIKeySAZXVZYHHFXARV-DGCLKSJQSA-N
XLogP3.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-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 [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone?
The IUPAC name of [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone (CID 166384324) is [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone.
What is the SMILES notation for [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone?
The canonical SMILES for [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)C[C@H]1CN.
What is the InChIKey of [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone?
The InChIKey is SAZXVZYHHFXARV-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-11-9-20(10-13(11)8-19)17(21)16-6-5-15(22-16)12-3-2-4-14(18)7-12/h2-7,11,13H,8-10,19H2,1H3/t11-,13-/m1/s1.
What are the key properties of [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone?
[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone has a molecular weight of 334.87 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-[5-(3-chlorophenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 166384324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).