1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine

C13H14FNS2 — CID 63836234

IUPAC1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2cccs2)c(F)c1
InChIInChI=1S/C13H14FNS2/c1-9(15)7-10-4-5-12(11(14)8-10)17-13-3-2-6-16-13/h2-6,8-9H,7,15H2,1H3
InChIKeyZFISKSBXQPGTFE-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.93
Rot. Bonds4

About 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine

1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine (PubChem CID 63836234) has the molecular formula C13H14FNS2 and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
PubChem CID63836234
Molecular FormulaC13H14FNS2
Molecular Weight267.39 g/mol
Exact Mass267.06
IUPAC Name1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2cccs2)c(F)c1
InChIInChI=1S/C13H14FNS2/c1-9(15)7-10-4-5-12(11(14)8-10)17-13-3-2-6-16-13/h2-6,8-9H,7,15H2,1H3
InChIKeyZFISKSBXQPGTFE-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

N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
CID 63804996
1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 114070431
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63818502
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
CID 63820349
2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836009
1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]propan-2-amine
CID 81160439
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818342
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline
CID 63592313
1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43200148
2-[4-(2-aminopropyl)-2-fluorophenyl]sulfanyl-1H-pyrimidin-6-one
CID 63818453

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine (CID 63836234) is 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine is CC(N)Cc1ccc(Sc2cccs2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine?
The InChIKey is ZFISKSBXQPGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS2/c1-9(15)7-10-4-5-12(11(14)8-10)17-13-3-2-6-16-13/h2-6,8-9H,7,15H2,1H3.
What are the key properties of 1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine?
1-(3-fluoro-4-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-4-thiophen-2-ylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 63836234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).