2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine

C13H18FNS — CID 82932342

IUPAC2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine
SMILESNCC(Sc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C13H18FNS/c14-11-5-7-12(8-6-11)16-13(9-15)10-3-1-2-4-10/h5-8,10,13H,1-4,9,15H2
InChIKeyDKGFAIUQVUPYKJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.44
Rot. Bonds4

About 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine

2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 82932342) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine
PubChem CID82932342
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine
SMILESNCC(Sc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C13H18FNS/c14-11-5-7-12(8-6-11)16-13(9-15)10-3-1-2-4-10/h5-8,10,13H,1-4,9,15H2
InChIKeyDKGFAIUQVUPYKJ-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine
CID 82931960
2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine
CID 82931065
2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
CID 82931377
3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
CID 65185834
2-cyclopentyl-2-ethylsulfanylethanamine
CID 82931270
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
2-cycloheptyl-2-cyclohexylsulfanylethanamine
CID 82931571
trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
CID 70440886
2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
CID 82075851
(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine
CID 95241738
4-cyclopentyl-2-(4-fluorophenyl)butan-1-amine
CID 114192542

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine (CID 82932342) is 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine is NCC(Sc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is DKGFAIUQVUPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c14-11-5-7-12(8-6-11)16-13(9-15)10-3-1-2-4-10/h5-8,10,13H,1-4,9,15H2.
What are the key properties of 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine?
2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 82932342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).