1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine

C13H14FNS2 — CID 114070431

IUPAC1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1cccc(F)c1Sc1cccs1
InChIInChI=1S/C13H14FNS2/c1-9(15)8-10-4-2-5-11(14)13(10)17-12-6-3-7-16-12/h2-7,9H,8,15H2,1H3
InChIKeyWGUWAGXSTQJYGO-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.93
Rot. Bonds4

About 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine

1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine (PubChem CID 114070431) has the molecular formula C13H14FNS2 and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine
PubChem CID114070431
Molecular FormulaC13H14FNS2
Molecular Weight267.39 g/mol
Exact Mass267.06
IUPAC Name1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1cccc(F)c1Sc1cccs1
InChIInChI=1S/C13H14FNS2/c1-9(15)8-10-4-2-5-11(14)13(10)17-12-6-3-7-16-12/h2-7,9H,8,15H2,1H3
InChIKeyWGUWAGXSTQJYGO-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 63836234
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136730622
2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836009
1-[2-(2-fluorophenyl)phenyl]propan-2-amine
CID 170864653
1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43200148
N-[[3-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 114070338
1-(4-fluorophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
CID 55015226
1-(2-methylsulfanylthiophen-3-yl)propan-2-amine
CID 130840357
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine (CID 114070431) is 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine is CC(N)Cc1cccc(F)c1Sc1cccs1.
What is the InChIKey of 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine?
The InChIKey is WGUWAGXSTQJYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS2/c1-9(15)8-10-4-2-5-11(14)13(10)17-12-6-3-7-16-12/h2-7,9H,8,15H2,1H3.
What are the key properties of 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine?
1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 114070431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).