2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine

C13H15NS2 — CID 60664664

IUPAC2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1ccc(SCCNCc2cccs2)cc1
InChIInChI=1S/C13H15NS2/c1-2-5-12(6-3-1)16-10-8-14-11-13-7-4-9-15-13/h1-7,9,14H,8,10-11H2
InChIKeyMUPPIJPDSFUQNG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds6

About 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine

2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 60664664) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID60664664
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC Name2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1ccc(SCCNCc2cccs2)cc1
InChIInChI=1S/C13H15NS2/c1-2-5-12(6-3-1)16-10-8-14-11-13-7-4-9-15-13/h1-7,9,14H,8,10-11H2
InChIKeyMUPPIJPDSFUQNG-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112736355
2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62583170
2-phenylsulfanyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759077
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 55092488
trans-(1R,2R)-1-N-(2-phenylsulfanylethyl)-2-N-(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
CID 118584802
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)ethanamine
CID 60664698
2-phenylsulfanyl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62698407

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine (CID 60664664) is 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine is c1ccc(SCCNCc2cccs2)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is MUPPIJPDSFUQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-2-5-12(6-3-1)16-10-8-14-11-13-7-4-9-15-13/h1-7,9,14H,8,10-11H2.
What are the key properties of 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 60664664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).