2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine

C13H20BNO2S — CID 170805710

IUPAC2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine
SMILESCC1(C)OB(C(=Cc2ccsc2)CN)OC1(C)C
InChIInChI=1S/C13H20BNO2S/c1-12(2)13(3,4)17-14(16-12)11(8-15)7-10-5-6-18-9-10/h5-7,9H,8,15H2,1-4H3
InChIKeyWISRNLANOLNBPG-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.72
Rot. Bonds3

About 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine (PubChem CID 170805710) has the molecular formula C13H20BNO2S and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine
PubChem CID170805710
Molecular FormulaC13H20BNO2S
Molecular Weight265.19 g/mol
Exact Mass265.13
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine
SMILESCC1(C)OB(C(=Cc2ccsc2)CN)OC1(C)C
InChIInChI=1S/C13H20BNO2S/c1-12(2)13(3,4)17-14(16-12)11(8-15)7-10-5-6-18-9-10/h5-7,9H,8,15H2,1-4H3
InChIKeyWISRNLANOLNBPG-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]benzaldehyde
CID 170805944
[4-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methanol
CID 170805945
2-[4-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]acetonitrile
CID 170806373
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-amine
CID 170805717
3-[4-(2-methylpropyl)phenyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170806568
3-[4-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]propan-1-ol
CID 170806650
3-(2-fluoro-4-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170805815
1-[4-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]-2-chloroethanone
CID 170806634
[5-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-2-pyridinyl]methanol
CID 170806100
3-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]thiophene-2-carbaldehyde
CID 170805762
3-(2-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170805757
2-[3-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]ethanol
CID 170806270

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine (CID 170805710) is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine is CC1(C)OB(C(=Cc2ccsc2)CN)OC1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine?
The InChIKey is WISRNLANOLNBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BNO2S/c1-12(2)13(3,4)17-14(16-12)11(8-15)7-10-5-6-18-9-10/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine?
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine has a molecular weight of 265.19 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-3-ylprop-2-en-1-amine is sourced from PubChem (CID 170805710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).