3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one

C10H15N3OS — CID 106253580

IUPAC3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCc2sccc2N)C1=O
InChIInChI=1S/C10H15N3OS/c1-13-4-2-8(10(13)14)12-6-9-7(11)3-5-15-9/h3,5,8,12H,2,4,6,11H2,1H3
InChIKeyGOMHZNXXPRWIQX-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.65
Rot. Bonds3

About 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one

3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one (PubChem CID 106253580) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one
PubChem CID106253580
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCc2sccc2N)C1=O
InChIInChI=1S/C10H15N3OS/c1-13-4-2-8(10(13)14)12-6-9-7(11)3-5-15-9/h3,5,8,12H,2,4,6,11H2,1H3
InChIKeyGOMHZNXXPRWIQX-UHFFFAOYSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one (CID 106253580) is 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one is CN1CCC(NCc2sccc2N)C1=O.
What is the InChIKey of 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is GOMHZNXXPRWIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13-4-2-8(10(13)14)12-6-9-7(11)3-5-15-9/h3,5,8,12H,2,4,6,11H2,1H3.
What are the key properties of 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one?
3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 225.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminothiophen-2-yl)methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106253580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).