N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine

C16H19NOS — CID 81333466

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1cc(C(C)NC2CSc3ccccc32)c(C)o1
InChIInChI=1S/C16H19NOS/c1-10-8-14(12(3)18-10)11(2)17-15-9-19-16-7-5-4-6-13(15)16/h4-8,11,15,17H,9H2,1-3H3
InChIKeyARFSQXAECMJBDR-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81333466) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81333466
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1cc(C(C)NC2CSc3ccccc32)c(C)o1
InChIInChI=1S/C16H19NOS/c1-10-8-14(12(3)18-10)11(2)17-15-9-19-16-7-5-4-6-13(15)16/h4-8,11,15,17H,9H2,1-3H3
InChIKeyARFSQXAECMJBDR-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 81333466) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine is Cc1cc(C(C)NC2CSc3ccccc32)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is ARFSQXAECMJBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-10-8-14(12(3)18-10)11(2)17-15-9-19-16-7-5-4-6-13(15)16/h4-8,11,15,17H,9H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 273.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81333466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).