N,2-diethylthiophen-3-amine

C8H13NS — CID 10487099

IUPACN,2-diethylthiophen-3-amine
SMILESCCNc1ccsc1CC
InChIInChI=1S/C8H13NS/c1-3-8-7(9-4-2)5-6-10-8/h5-6,9H,3-4H2,1-2H3
InChIKeyFZDVAWTYRANYDF-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.74
Rot. Bonds3

About N,2-diethylthiophen-3-amine

N,2-diethylthiophen-3-amine (PubChem CID 10487099) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N,2-diethylthiophen-3-amine.

Molecular Properties

Compound NameN,2-diethylthiophen-3-amine
PubChem CID10487099
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN,2-diethylthiophen-3-amine
SMILESCCNc1ccsc1CC
InChIInChI=1S/C8H13NS/c1-3-8-7(9-4-2)5-6-10-8/h5-6,9H,3-4H2,1-2H3
InChIKeyFZDVAWTYRANYDF-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-diethylthiophen-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-diethylthiophen-3-amine?
The IUPAC name of N,2-diethylthiophen-3-amine (CID 10487099) is N,2-diethylthiophen-3-amine.
What is the SMILES notation for N,2-diethylthiophen-3-amine?
The canonical SMILES for N,2-diethylthiophen-3-amine is CCNc1ccsc1CC.
What is the InChIKey of N,2-diethylthiophen-3-amine?
The InChIKey is FZDVAWTYRANYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-8-7(9-4-2)5-6-10-8/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N,2-diethylthiophen-3-amine?
N,2-diethylthiophen-3-amine has a molecular weight of 155.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethylthiophen-3-amine is sourced from PubChem (CID 10487099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).