1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride

C13H21ClN2OS — CID 119649918

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCNCC1CCCN1C(=O)C(C)c1cccs1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10(12-6-4-8-17-12)13(16)15-7-3-5-11(15)9-14-2;/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3;1H
InChIKeyGRSQOCWGALIDIF-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride (PubChem CID 119649918) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride
PubChem CID119649918
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCNCC1CCCN1C(=O)C(C)c1cccs1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10(12-6-4-8-17-12)13(16)15-7-3-5-11(15)9-14-2;/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3;1H
InChIKeyGRSQOCWGALIDIF-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
(2R)-1-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 96567260
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119650884
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119928547
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 119649334
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119648537
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 120607621
2-(4-methoxyphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119651488
2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide
CID 154877008
2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 119649401
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287047
3-(2-fluorophenyl)-2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119651746

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride (CID 119649918) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride is CNCC1CCCN1C(=O)C(C)c1cccs1.Cl.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride?
The InChIKey is GRSQOCWGALIDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-10(12-6-4-8-17-12)13(16)15-7-3-5-11(15)9-14-2;/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3;1H.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 119649918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).