(5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one

C13H20N2OS — CID 95131654

IUPAC(5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)N(Cc1ccsc1)C[C@H]1CCC(=O)N1
InChIInChI=1S/C13H20N2OS/c1-10(2)15(7-11-5-6-17-9-11)8-12-3-4-13(16)14-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyJASUGEZIIKTDIS-GFCCVEGCSA-N
MW252.38 g/mol
LogP2.24
Rot. Bonds5

About (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one

(5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 95131654) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one
PubChem CID95131654
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)N(Cc1ccsc1)C[C@H]1CCC(=O)N1
InChIInChI=1S/C13H20N2OS/c1-10(2)15(7-11-5-6-17-9-11)8-12-3-4-13(16)14-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyJASUGEZIIKTDIS-GFCCVEGCSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one (CID 95131654) is (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one is CC(C)N(Cc1ccsc1)C[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is JASUGEZIIKTDIS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(2)15(7-11-5-6-17-9-11)8-12-3-4-13(16)14-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
(5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 252.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[propan-2-yl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95131654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).