2-ethyl-N-propan-2-ylthiophen-3-amine

C9H15NS — CID 57014293

IUPAC2-ethyl-N-propan-2-ylthiophen-3-amine
SMILESCCc1sccc1NC(C)C
InChIInChI=1S/C9H15NS/c1-4-9-8(5-6-11-9)10-7(2)3/h5-7,10H,4H2,1-3H3
InChIKeyGCJDROXCSGEPTQ-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.13
Rot. Bonds3

About 2-ethyl-N-propan-2-ylthiophen-3-amine

2-ethyl-N-propan-2-ylthiophen-3-amine (PubChem CID 57014293) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-ylthiophen-3-amine.

Molecular Properties

Compound Name2-ethyl-N-propan-2-ylthiophen-3-amine
PubChem CID57014293
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-ethyl-N-propan-2-ylthiophen-3-amine
SMILESCCc1sccc1NC(C)C
InChIInChI=1S/C9H15NS/c1-4-9-8(5-6-11-9)10-7(2)3/h5-7,10H,4H2,1-3H3
InChIKeyGCJDROXCSGEPTQ-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-propan-2-ylthiophen-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 2-ethyl-N-propan-2-ylthiophen-3-amine?
The IUPAC name of 2-ethyl-N-propan-2-ylthiophen-3-amine (CID 57014293) is 2-ethyl-N-propan-2-ylthiophen-3-amine.
What is the SMILES notation for 2-ethyl-N-propan-2-ylthiophen-3-amine?
The canonical SMILES for 2-ethyl-N-propan-2-ylthiophen-3-amine is CCc1sccc1NC(C)C.
What is the InChIKey of 2-ethyl-N-propan-2-ylthiophen-3-amine?
The InChIKey is GCJDROXCSGEPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-9-8(5-6-11-9)10-7(2)3/h5-7,10H,4H2,1-3H3.
What are the key properties of 2-ethyl-N-propan-2-ylthiophen-3-amine?
2-ethyl-N-propan-2-ylthiophen-3-amine has a molecular weight of 169.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-ylthiophen-3-amine is sourced from PubChem (CID 57014293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).