2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride

C15H21ClN2OS — CID 27174

IUPAC2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCNC(=O)c1cc2ccccc2s1.[Cl-]
InChIInChI=1S/C15H20N2OS.ClH/c1-3-17(4-2)10-9-16-15(18)14-11-12-7-5-6-8-13(12)19-14;/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18);1H
InChIKeyTZBAVQKIEKDGFH-UHFFFAOYSA-N
MW312.87 g/mol
LogP-1.44
Rot. Bonds6

About 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride

2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride (PubChem CID 27174) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride
PubChem CID27174
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCNC(=O)c1cc2ccccc2s1.[Cl-]
InChIInChI=1S/C15H20N2OS.ClH/c1-3-17(4-2)10-9-16-15(18)14-11-12-7-5-6-8-13(12)19-14;/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18);1H
InChIKeyTZBAVQKIEKDGFH-UHFFFAOYSA-N
XLogP-1.44
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride?
The IUPAC name of 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride (CID 27174) is 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride.
What is the SMILES notation for 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride?
The canonical SMILES for 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride is CC[NH+](CC)CCNC(=O)c1cc2ccccc2s1.[Cl-].
What is the InChIKey of 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride?
The InChIKey is TZBAVQKIEKDGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.ClH/c1-3-17(4-2)10-9-16-15(18)14-11-12-7-5-6-8-13(12)19-14;/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride?
2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride has a molecular weight of 312.87 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophene-2-carbonylamino)ethyl-diethylazanium chloride is sourced from PubChem (CID 27174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).