2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine

C14H17NS2Se — CID 10521252

IUPAC2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine
SMILESCSCCC([Se]c1ccccc1)c1sccc1N
InChIInChI=1S/C14H17NS2Se/c1-16-9-8-13(14-12(15)7-10-17-14)18-11-5-3-2-4-6-11/h2-7,10,13H,8-9,15H2,1H3
InChIKeyGGYHACAIJRHBQH-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.15
Rot. Bonds6

About 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine

2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine (PubChem CID 10521252) has the molecular formula C14H17NS2Se and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine.

Molecular Properties

Compound Name2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine
PubChem CID10521252
Molecular FormulaC14H17NS2Se
Molecular Weight342.39 g/mol
Exact Mass343.00
IUPAC Name2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine
SMILESCSCCC([Se]c1ccccc1)c1sccc1N
InChIInChI=1S/C14H17NS2Se/c1-16-9-8-13(14-12(15)7-10-17-14)18-11-5-3-2-4-6-11/h2-7,10,13H,8-9,15H2,1H3
InChIKeyGGYHACAIJRHBQH-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine
CID 10643422
1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine
CID 107361723
2-[1-(3-aminothiophen-2-yl)propyl]thiophen-3-amine
CID 10823868
(3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol
CID 130885597
N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine
CID 10520010
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721977
N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine
CID 10781246
(2S)-2-amino-N-benzylidene-4-methylsulfanylbutanamide
CID 57028393
N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
CID 115639050
3-methyl-1-methylsulfanylbutane;2-methylpropylbenzene
CID 159689951
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-thiophen-2-ylpropanoic acid
CID 61179534
(2S)-1-N-methyl-4-methylsulfanyl-1-N-phenylbutane-1,2-diamine
CID 22689710

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine?
The IUPAC name of 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine (CID 10521252) is 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine.
What is the SMILES notation for 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine?
The canonical SMILES for 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine is CSCCC([Se]c1ccccc1)c1sccc1N.
What is the InChIKey of 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine?
The InChIKey is GGYHACAIJRHBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2Se/c1-16-9-8-13(14-12(15)7-10-17-14)18-11-5-3-2-4-6-11/h2-7,10,13H,8-9,15H2,1H3.
What are the key properties of 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine?
2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine has a molecular weight of 342.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine is sourced from PubChem (CID 10521252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).