N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide

C13H20BNO3S — CID 140674111

IUPACN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1
InChIInChI=1S/C13H20BNO3S/c1-12(2)13(3,4)18-14(17-12)9-7-10(19-8-9)11(16)15(5)6/h7-8H,1-6H3
InChIKeyPWYRSAFGNIPEEJ-UHFFFAOYSA-N
MW281.19 g/mol
LogP1.75
Rot. Bonds2

About N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide (PubChem CID 140674111) has the molecular formula C13H20BNO3S and a molecular weight of 281.19 g/mol. Its IUPAC name is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
PubChem CID140674111
Molecular FormulaC13H20BNO3S
Molecular Weight281.19 g/mol
Exact Mass281.13
IUPAC NameN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1
InChIInChI=1S/C13H20BNO3S/c1-12(2)13(3,4)18-14(17-12)9-7-10(19-8-9)11(16)15(5)6/h7-8H,1-6H3
InChIKeyPWYRSAFGNIPEEJ-UHFFFAOYSA-N
XLogP1.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
CID 56973254
(4-methylpiperidin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanone
CID 166174813
benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
CID 165115895
N,N,3-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 53217299
N,N-dimethyl-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxamide
CID 134128547
2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155819321
2-acetamido-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 163208251
N,N,3-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 66818683
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]morpholine
CID 130153349
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone
CID 53398602
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid
CID 53217118
1,2-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-dione
CID 68776148

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide (CID 140674111) is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide is CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1.
What is the InChIKey of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide?
The InChIKey is PWYRSAFGNIPEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BNO3S/c1-12(2)13(3,4)18-14(17-12)9-7-10(19-8-9)11(16)15(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)thiophene-2-carboxamide?
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide has a molecular weight of 281.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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)thiophene-2-carboxamide is sourced from PubChem (CID 140674111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).