N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine

C15H19NS2 — CID 43286478

IUPACN-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2cccs2)cc1
InChIInChI=1S/C15H19NS2/c1-3-10-16-12(2)13-6-8-14(9-7-13)18-15-5-4-11-17-15/h4-9,11-12,16H,3,10H2,1-2H3
InChIKeyFLJCDTXPAMXUAD-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.96
Rot. Bonds6

About N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine

N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine (PubChem CID 43286478) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
PubChem CID43286478
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC NameN-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Sc2cccs2)cc1
InChIInChI=1S/C15H19NS2/c1-3-10-16-12(2)13-6-8-14(9-7-13)18-15-5-4-11-17-15/h4-9,11-12,16H,3,10H2,1-2H3
InChIKeyFLJCDTXPAMXUAD-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-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

N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479
N-[1-[4-(4-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286559
(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 28602971
N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
CID 64612532
N-[1-(4-pentan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 107887922
N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61437034
methyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034472
ethyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034297
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine
CID 106808177
N-[1-(3-bromo-4-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 63533655

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine (CID 43286478) is N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(Sc2cccs2)cc1.
What is the InChIKey of N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine?
The InChIKey is FLJCDTXPAMXUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-3-10-16-12(2)13-6-8-14(9-7-13)18-15-5-4-11-17-15/h4-9,11-12,16H,3,10H2,1-2H3.
What are the key properties of N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine?
N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43286478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).