[6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid

C10H14BN3O5S — CID 168683338

IUPAC[6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(B(O)O)cn2)C1
InChIInChI=1S/C10H14BN3O5S/c12-20(18,19)6-7-3-10(15)14(5-7)9-2-1-8(4-13-9)11(16)17/h1-2,4,7,16-17H,3,5-6H2,(H2,12,18,19)
InChIKeyDDWFRGUECOOQRD-UHFFFAOYSA-N
MW299.12 g/mol
LogP-2.60
Rot. Bonds4

About [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid

[6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid (PubChem CID 168683338) has the molecular formula C10H14BN3O5S and a molecular weight of 299.12 g/mol. Its IUPAC name is [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid
PubChem CID168683338
Molecular FormulaC10H14BN3O5S
Molecular Weight299.12 g/mol
Exact Mass299.07
IUPAC Name[6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(B(O)O)cn2)C1
InChIInChI=1S/C10H14BN3O5S/c12-20(18,19)6-7-3-10(15)14(5-7)9-2-1-8(4-13-9)11(16)17/h1-2,4,7,16-17H,3,5-6H2,(H2,12,18,19)
InChIKeyDDWFRGUECOOQRD-UHFFFAOYSA-N
XLogP-2.60
TPSA133.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 5-2.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid?
The IUPAC name of [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid (CID 168683338) is [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid?
The canonical SMILES for [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid is NS(=O)(=O)CC1CC(=O)N(c2ccc(B(O)O)cn2)C1.
What is the InChIKey of [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid?
The InChIKey is DDWFRGUECOOQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BN3O5S/c12-20(18,19)6-7-3-10(15)14(5-7)9-2-1-8(4-13-9)11(16)17/h1-2,4,7,16-17H,3,5-6H2,(H2,12,18,19).
What are the key properties of [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid?
[6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid has a molecular weight of 299.12 g/mol, XLogP of -2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid is sourced from PubChem (CID 168683338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).