2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide

C11H18BN3O4S — CID 66781540

IUPAC2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
SMILESCC1(C)OB(c2cnc(N)c(S(N)(=O)=O)c2)OC1(C)C
InChIInChI=1S/C11H18BN3O4S/c1-10(2)11(3,4)19-12(18-10)7-5-8(20(14,16)17)9(13)15-6-7/h5-6H,1-4H3,(H2,13,15)(H2,14,16,17)
InChIKeySXJBLRHPTZLDAB-UHFFFAOYSA-N
MW299.16 g/mol
LogP-0.39
Rot. Bonds2

About 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide

2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide (PubChem CID 66781540) has the molecular formula C11H18BN3O4S and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
PubChem CID66781540
Molecular FormulaC11H18BN3O4S
Molecular Weight299.16 g/mol
Exact Mass299.11
IUPAC Name2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
SMILESCC1(C)OB(c2cnc(N)c(S(N)(=O)=O)c2)OC1(C)C
InChIInChI=1S/C11H18BN3O4S/c1-10(2)11(3,4)19-12(18-10)7-5-8(20(14,16)17)9(13)15-6-7/h5-6H,1-4H3,(H2,13,15)(H2,14,16,17)
InChIKeySXJBLRHPTZLDAB-UHFFFAOYSA-N
XLogP-0.39
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
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 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide (CID 66781540) is 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide is CC1(C)OB(c2cnc(N)c(S(N)(=O)=O)c2)OC1(C)C.
What is the InChIKey of 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?
The InChIKey is SXJBLRHPTZLDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BN3O4S/c1-10(2)11(3,4)19-12(18-10)7-5-8(20(14,16)17)9(13)15-6-7/h5-6H,1-4H3,(H2,13,15)(H2,14,16,17).
What are the key properties of 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide has a molecular weight of 299.16 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66781540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).