4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine

C13H16N4O6S — CID 142892045

IUPAC4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine
SMILESO=C1COCCN1c1ccc(N2CCC(N(O)S(=O)O)C2=O)nc1
InChIInChI=1S/C13H16N4O6S/c18-12-8-23-6-5-15(12)9-1-2-11(14-7-9)16-4-3-10(13(16)19)17(20)24(21)22/h1-2,7,10,20H,3-6,8H2,(H,21,22)
InChIKeyKTGVEULAOLEJRY-UHFFFAOYSA-N
MW356.36 g/mol
LogP-0.62
Rot. Bonds4

About 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine

4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine (PubChem CID 142892045) has the molecular formula C13H16N4O6S and a molecular weight of 356.36 g/mol. Its IUPAC name is 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine.

Molecular Properties

Compound Name4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine
PubChem CID142892045
Molecular FormulaC13H16N4O6S
Molecular Weight356.36 g/mol
Exact Mass356.08
IUPAC Name4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine
SMILESO=C1COCCN1c1ccc(N2CCC(N(O)S(=O)O)C2=O)nc1
InChIInChI=1S/C13H16N4O6S/c18-12-8-23-6-5-15(12)9-1-2-11(14-7-9)16-4-3-10(13(16)19)17(20)24(21)22/h1-2,7,10,20H,3-6,8H2,(H,21,22)
InChIKeyKTGVEULAOLEJRY-UHFFFAOYSA-N
XLogP-0.62
TPSA123.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine?
The IUPAC name of 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine (CID 142892045) is 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine.
What is the SMILES notation for 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine?
The canonical SMILES for 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine is O=C1COCCN1c1ccc(N2CCC(N(O)S(=O)O)C2=O)nc1.
What is the InChIKey of 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine?
The InChIKey is KTGVEULAOLEJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O6S/c18-12-8-23-6-5-15(12)9-1-2-11(14-7-9)16-4-3-10(13(16)19)17(20)24(21)22/h1-2,7,10,20H,3-6,8H2,(H,21,22).
What are the key properties of 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine?
4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine has a molecular weight of 356.36 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine is sourced from PubChem (CID 142892045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).