N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide

C11H20BN3O4S — CID 25000395

IUPACN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C11H20BN3O4S/c1-10(2)11(3,4)19-12(18-10)9-7-15(8-13-9)20(16,17)14(5)6/h7-8H,1-6H3
InChIKeyZWQXNFBXPCSFAO-UHFFFAOYSA-N
MW301.18 g/mol
LogP-0.16
Rot. Bonds3

About N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide (PubChem CID 25000395) has the molecular formula C11H20BN3O4S and a molecular weight of 301.18 g/mol. Its IUPAC name is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide
PubChem CID25000395
Molecular FormulaC11H20BN3O4S
Molecular Weight301.18 g/mol
Exact Mass301.13
IUPAC NameN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C11H20BN3O4S/c1-10(2)11(3,4)19-12(18-10)9-7-15(8-13-9)20(16,17)14(5)6/h7-8H,1-6H3
InChIKeyZWQXNFBXPCSFAO-UHFFFAOYSA-N
XLogP-0.16
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
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 N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide (CID 25000395) is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide?
The InChIKey is ZWQXNFBXPCSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BN3O4S/c1-10(2)11(3,4)19-12(18-10)9-7-15(8-13-9)20(16,17)14(5)6/h7-8H,1-6H3.
What are the key properties of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide?
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide has a molecular weight of 301.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole-1-sulfonamide is sourced from PubChem (CID 25000395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).