N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide

About N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide

N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide (PubChem CID 71116272) has the molecular formula C17H30BN3O4S and a molecular weight of 383.32 g/mol. Its IUPAC name is N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name	N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
PubChem CID	71116272
Molecular Formula	C17H30BN3O4S
Molecular Weight	383.32 g/mol
Exact Mass	383.21
IUPAC Name	N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
SMILES	CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)C
InChI	InChI=1S/C17H30BN3O4S/c1-15(2,3)20-26(22,23)13-10-12(11-19-14(13)21(8)9)18-24-16(4,5)17(6,7)25-18/h10-11,20H,1-9H3
InChIKey	PWSAFOLINSJENK-UHFFFAOYSA-N
XLogP	1.52
TPSA	80.76 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.32
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?

The IUPAC name of N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide (CID 71116272) is N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide is CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)C.

What is the InChIKey of N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?

The InChIKey is PWSAFOLINSJENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BN3O4S/c1-15(2,3)20-26(22,23)13-10-12(11-19-14(13)21(8)9)18-24-16(4,5)17(6,7)25-18/h10-11,20H,1-9H3.

What are the key properties of N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?

N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide has a molecular weight of 383.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 71116272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).