1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine

C13H14FNS2 — CID 66051534

IUPAC1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
SMILESNC(CSc1ccccc1F)Cc1ccsc1
InChIInChI=1S/C13H14FNS2/c14-12-3-1-2-4-13(12)17-9-11(15)7-10-5-6-16-8-10/h1-6,8,11H,7,9,15H2
InChIKeyYEKNLZNTOCJOMF-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.55
Rot. Bonds5

About 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine

1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 66051534) has the molecular formula C13H14FNS2 and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
PubChem CID66051534
Molecular FormulaC13H14FNS2
Molecular Weight267.39 g/mol
Exact Mass267.06
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
SMILESNC(CSc1ccccc1F)Cc1ccsc1
InChIInChI=1S/C13H14FNS2/c14-12-3-1-2-4-13(12)17-9-11(15)7-10-5-6-16-8-10/h1-6,8,11H,7,9,15H2
InChIKeyYEKNLZNTOCJOMF-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66052300
1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66159414
1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66051531
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175961
2-(2-fluorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 79448882
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
1-(3-chloro-2-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 102857673
1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 64559079
[1-(2,6-difluorophenyl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105297672
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862
1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049641
1-(2-fluorophenyl)sulfanylhept-5-yn-2-amine
CID 104806211

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine (CID 66051534) is 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine is NC(CSc1ccccc1F)Cc1ccsc1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is YEKNLZNTOCJOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS2/c14-12-3-1-2-4-13(12)17-9-11(15)7-10-5-6-16-8-10/h1-6,8,11H,7,9,15H2.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine?
1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 66051534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).