5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one

C10H13N3OS — CID 107530231

IUPAC5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one
SMILESNc1ccc(SCC2CCC(=O)N2)nc1
InChIInChI=1S/C10H13N3OS/c11-7-1-4-10(12-5-7)15-6-8-2-3-9(14)13-8/h1,4-5,8H,2-3,6,11H2,(H,13,14)
InChIKeyONGALIDGWYFKQY-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.03
Rot. Bonds3

About 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one

5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one (PubChem CID 107530231) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one
PubChem CID107530231
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one
SMILESNc1ccc(SCC2CCC(=O)N2)nc1
InChIInChI=1S/C10H13N3OS/c11-7-1-4-10(12-5-7)15-6-8-2-3-9(14)13-8/h1,4-5,8H,2-3,6,11H2,(H,13,14)
InChIKeyONGALIDGWYFKQY-UHFFFAOYSA-N
XLogP1.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one?
The IUPAC name of 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one (CID 107530231) is 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one is Nc1ccc(SCC2CCC(=O)N2)nc1.
What is the InChIKey of 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one?
The InChIKey is ONGALIDGWYFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-7-1-4-10(12-5-7)15-6-8-2-3-9(14)13-8/h1,4-5,8H,2-3,6,11H2,(H,13,14).
What are the key properties of 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one?
5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one is sourced from PubChem (CID 107530231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).