N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine

C14H23NS2 — CID 80626936

IUPACN-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)C1CCCCS1
InChIInChI=1S/C14H23NS2/c1-2-15-13(14-5-3-4-9-17-14)7-6-12-8-10-16-11-12/h8,10-11,13-15H,2-7,9H2,1H3
InChIKeyASFQRHIIFHLSLI-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.94
Rot. Bonds6

About N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine

N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 80626936) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID80626936
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC NameN-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)C1CCCCS1
InChIInChI=1S/C14H23NS2/c1-2-15-13(14-5-3-4-9-17-14)7-6-12-8-10-16-11-12/h8,10-11,13-15H,2-7,9H2,1H3
InChIKeyASFQRHIIFHLSLI-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-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

Related Compounds

1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626558
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80626191
N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
CID 80626981
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105147842
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151151
N-ethyl-5,5,5-trifluoro-1-(thian-2-yl)pentan-1-amine
CID 115517503
N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 115856805
1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115857152

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine (CID 80626936) is N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)C1CCCCS1.
What is the InChIKey of N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ASFQRHIIFHLSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-2-15-13(14-5-3-4-9-17-14)7-6-12-8-10-16-11-12/h8,10-11,13-15H,2-7,9H2,1H3.
What are the key properties of N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine?
N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 80626936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).