N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine

C14H23NOS — CID 65164057

IUPACN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCCC1CCCO1)c1cccs1
InChIInChI=1S/C14H23NOS/c1-2-5-13(14-7-4-11-17-14)15-9-8-12-6-3-10-16-12/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3
InChIKeyAWGHOBFLOCISRC-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine

N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine (PubChem CID 65164057) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
PubChem CID65164057
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCCC1CCCO1)c1cccs1
InChIInChI=1S/C14H23NOS/c1-2-5-13(14-7-4-11-17-14)15-9-8-12-6-3-10-16-12/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3
InChIKeyAWGHOBFLOCISRC-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-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-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine (CID 65164057) is N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine is CCCC(NCCC1CCCO1)c1cccs1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The InChIKey is AWGHOBFLOCISRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-5-13(14-7-4-11-17-14)15-9-8-12-6-3-10-16-12/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 65164057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).