[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C15H20N2OS — CID 124569833

IUPAC[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@H]1CCCN1C(=O)[C@@H]1CSc2ccccc21
InChIInChI=1S/C15H20N2OS/c1-16-9-11-5-4-8-17(11)15(18)13-10-19-14-7-3-2-6-12(13)14/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3/t11-,13-/m1/s1
InChIKeyZJHIKUOFYWGOFD-DGCLKSJQSA-N
MW276.40 g/mol
LogP2.09
Rot. Bonds3

About [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone

[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 124569833) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID124569833
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@H]1CCCN1C(=O)[C@@H]1CSc2ccccc21
InChIInChI=1S/C15H20N2OS/c1-16-9-11-5-4-8-17(11)15(18)13-10-19-14-7-3-2-6-12(13)14/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3/t11-,13-/m1/s1
InChIKeyZJHIKUOFYWGOFD-DGCLKSJQSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 103441183
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127304
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
[(3S)-3-aminopiperidin-1-yl]-[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanone
CID 124516146
(3-aminopiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79213096
1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
CID 79212249
2,3-dihydro-1-benzothiophen-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79212074
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948
2-[1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]acetic acid
CID 79612715
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807648

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 124569833) is [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNC[C@H]1CCCN1C(=O)[C@@H]1CSc2ccccc21.
What is the InChIKey of [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZJHIKUOFYWGOFD-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-16-9-11-5-4-8-17(11)15(18)13-10-19-14-7-3-2-6-12(13)14/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 276.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124569833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).