1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine

C12H20N2OS — CID 103530823

IUPAC1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine
SMILESCOC1CCN(C(c2ccsc2)C(C)N)C1
InChIInChI=1S/C12H20N2OS/c1-9(13)12(10-4-6-16-8-10)14-5-3-11(7-14)15-2/h4,6,8-9,11-12H,3,5,7,13H2,1-2H3
InChIKeyGXVPWMKFWOQUPM-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine

1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 103530823) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine
PubChem CID103530823
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine
SMILESCOC1CCN(C(c2ccsc2)C(C)N)C1
InChIInChI=1S/C12H20N2OS/c1-9(13)12(10-4-6-16-8-10)14-5-3-11(7-14)15-2/h4,6,8-9,11-12H,3,5,7,13H2,1-2H3
InChIKeyGXVPWMKFWOQUPM-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine (CID 103530823) is 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine is COC1CCN(C(c2ccsc2)C(C)N)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is GXVPWMKFWOQUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(13)12(10-4-6-16-8-10)14-5-3-11(7-14)15-2/h4,6,8-9,11-12H,3,5,7,13H2,1-2H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine?
1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 103530823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).