4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine

C15H23BN2O5S — CID 59353593

IUPAC4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine
SMILESCC1(C)OB(c2cncc(S(=O)(=O)N3CCOCC3)c2)OC1(C)C
InChIInChI=1S/C15H23BN2O5S/c1-14(2)15(3,4)23-16(22-14)12-9-13(11-17-10-12)24(19,20)18-5-7-21-8-6-18/h9-11H,5-8H2,1-4H3
InChIKeyDJZHQGHRODEJDJ-UHFFFAOYSA-N
MW354.24 g/mol
LogP0.40
Rot. Bonds3

About 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine

4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine (PubChem CID 59353593) has the molecular formula C15H23BN2O5S and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine
PubChem CID59353593
Molecular FormulaC15H23BN2O5S
Molecular Weight354.24 g/mol
Exact Mass354.14
IUPAC Name4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine
SMILESCC1(C)OB(c2cncc(S(=O)(=O)N3CCOCC3)c2)OC1(C)C
InChIInChI=1S/C15H23BN2O5S/c1-14(2)15(3,4)23-16(22-14)12-9-13(11-17-10-12)24(19,20)18-5-7-21-8-6-18/h9-11H,5-8H2,1-4H3
InChIKeyDJZHQGHRODEJDJ-UHFFFAOYSA-N
XLogP0.40
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]azetidin-3-yl]methylcarbamic acid
CID 175462915
4-[(5-fluoro-3-pyridinyl)sulfonyl]morpholine
CID 62039673
4-[4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylmorpholine
CID 91759027
4-[(5-bromo-3-pyridinyl)methyl]morpholine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]morpholine
CID 158944484
3-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 58412294
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 58412363
1-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpyrrolidin-3-amine
CID 165180656
4-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
CID 126842355
4-(3-methylimidazol-4-yl)sulfonylmorpholine
CID 11299206
4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]methyl]morpholine
CID 143915957
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine (CID 59353593) is 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine is CC1(C)OB(c2cncc(S(=O)(=O)N3CCOCC3)c2)OC1(C)C.
What is the InChIKey of 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is DJZHQGHRODEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2O5S/c1-14(2)15(3,4)23-16(22-14)12-9-13(11-17-10-12)24(19,20)18-5-7-21-8-6-18/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine?
4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 354.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 59353593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).