3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine

C16H24FNS — CID 103787278

IUPAC3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
SMILESCCSC1CCC(NC(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FNS/c1-3-19-16-9-8-15(11-16)18-12(2)10-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,3,8-11H2,1-2H3
InChIKeyOQJWQOGGMVMVDZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.02
Rot. Bonds6

About 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine

3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine (PubChem CID 103787278) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
PubChem CID103787278
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
SMILESCCSC1CCC(NC(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FNS/c1-3-19-16-9-8-15(11-16)18-12(2)10-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,3,8-11H2,1-2H3
InChIKeyOQJWQOGGMVMVDZ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
CID 114122743
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753673
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
tert-butyl N-[3-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentyl]carbamate
CID 113247851
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
N-(1-cyclobutylpropan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115725131
N-[1-(4-fluorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 62996135

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine (CID 103787278) is 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine is CCSC1CCC(NC(C)Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine?
The InChIKey is OQJWQOGGMVMVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-3-19-16-9-8-15(11-16)18-12(2)10-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,3,8-11H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine?
3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 103787278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).