1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine

C13H17F2NS — CID 104755477

IUPAC1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine
SMILESNC(CSc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C13H17F2NS/c14-10-5-6-11(15)13(7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9,12H,1-4,8,16H2
InChIKeyLIHUKRMVGXSROX-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.57
Rot. Bonds4

About 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine

1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine (PubChem CID 104755477) has the molecular formula C13H17F2NS and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine
PubChem CID104755477
Molecular FormulaC13H17F2NS
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC Name1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine
SMILESNC(CSc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C13H17F2NS/c14-10-5-6-11(15)13(7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9,12H,1-4,8,16H2
InChIKeyLIHUKRMVGXSROX-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
CID 82932599
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096114
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 104753985
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 104755358
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
CID 104755863
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
CID 63905359

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine?
The IUPAC name of 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine (CID 104755477) is 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine is NC(CSc1cc(F)ccc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine?
The InChIKey is LIHUKRMVGXSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS/c14-10-5-6-11(15)13(7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9,12H,1-4,8,16H2.
What are the key properties of 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine?
1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine has a molecular weight of 257.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine is sourced from PubChem (CID 104755477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).