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

C16H20FNS2 — CID 66073110

IUPAC1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(CSc1cccc(F)c1)Cc1ccsc1
InChIInChI=1S/C16H20FNS2/c1-2-7-18-15(9-13-6-8-19-11-13)12-20-16-5-3-4-14(17)10-16/h3-6,8,10-11,15,18H,2,7,9,12H2,1H3
InChIKeyPBWUEBOAHADLCD-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.59
Rot. Bonds8

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

1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 66073110) has the molecular formula C16H20FNS2 and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
PubChem CID66073110
Molecular FormulaC16H20FNS2
Molecular Weight309.48 g/mol
Exact Mass309.10
IUPAC Name1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(CSc1cccc(F)c1)Cc1ccsc1
InChIInChI=1S/C16H20FNS2/c1-2-7-18-15(9-13-6-8-19-11-13)12-20-16-5-3-4-14(17)10-16/h3-6,8,10-11,15,18H,2,7,9,12H2,1H3
InChIKeyPBWUEBOAHADLCD-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 66072076
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071861
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine (CID 66073110) is 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine is CCCNC(CSc1cccc(F)c1)Cc1ccsc1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is PBWUEBOAHADLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS2/c1-2-7-18-15(9-13-6-8-19-11-13)12-20-16-5-3-4-14(17)10-16/h3-6,8,10-11,15,18H,2,7,9,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine?
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 309.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 66073110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).