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

C14H16FNS2 — CID 66072076

IUPAC1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(CSc1cccc(F)c1)Cc1ccsc1
InChIInChI=1S/C14H16FNS2/c1-16-13(7-11-5-6-17-9-11)10-18-14-4-2-3-12(15)8-14/h2-6,8-9,13,16H,7,10H2,1H3
InChIKeyMMPHUDVJSIBKGO-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.81
Rot. Bonds6

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

1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 66072076) has the molecular formula C14H16FNS2 and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
PubChem CID66072076
Molecular FormulaC14H16FNS2
Molecular Weight281.42 g/mol
Exact Mass281.07
IUPAC Name1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(CSc1cccc(F)c1)Cc1ccsc1
InChIInChI=1S/C14H16FNS2/c1-16-13(7-11-5-6-17-9-11)10-18-14-4-2-3-12(15)8-14/h2-6,8-9,13,16H,7,10H2,1H3
InChIKeyMMPHUDVJSIBKGO-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65132227
4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 82923342
5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 66072695
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 115517085
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine (CID 66072076) is 1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine is CNC(CSc1cccc(F)c1)Cc1ccsc1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is MMPHUDVJSIBKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS2/c1-16-13(7-11-5-6-17-9-11)10-18-14-4-2-3-12(15)8-14/h2-6,8-9,13,16H,7,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine?
1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 3.81, 6 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-methyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 66072076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).