1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine

C18H17ClF3NOS — CID 167199746

IUPAC1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine
SMILESFC(F)(F)Oc1ccc(SNC2(c3cccc(Cl)c3)CCCC2)cc1
InChIInChI=1S/C18H17ClF3NOS/c19-14-5-3-4-13(12-14)17(10-1-2-11-17)23-25-16-8-6-15(7-9-16)24-18(20,21)22/h3-9,12,23H,1-2,10-11H2
InChIKeySWEWUEPHCMIWCJ-UHFFFAOYSA-N
MW387.85 g/mol
LogP6.30
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine

1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine (PubChem CID 167199746) has the molecular formula C18H17ClF3NOS and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine
PubChem CID167199746
Molecular FormulaC18H17ClF3NOS
Molecular Weight387.85 g/mol
Exact Mass387.07
IUPAC Name1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine
SMILESFC(F)(F)Oc1ccc(SNC2(c3cccc(Cl)c3)CCCC2)cc1
InChIInChI=1S/C18H17ClF3NOS/c19-14-5-3-4-13(12-14)17(10-1-2-11-17)23-25-16-8-6-15(7-9-16)24-18(20,21)22/h3-9,12,23H,1-2,10-11H2
InChIKeySWEWUEPHCMIWCJ-UHFFFAOYSA-N
XLogP6.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.85
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862821
N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
CID 136515658
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclohexyl]pyrimidin-2-amine
CID 66882983
1-(3-chlorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641
2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-(trifluoromethoxy)benzene
CID 116629289
N-[1-(3-chlorophenyl)cyclopropyl]cyclopentanamine
CID 115901876
N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 163218522
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine (CID 167199746) is 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine is FC(F)(F)Oc1ccc(SNC2(c3cccc(Cl)c3)CCCC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine?
The InChIKey is SWEWUEPHCMIWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NOS/c19-14-5-3-4-13(12-14)17(10-1-2-11-17)23-25-16-8-6-15(7-9-16)24-18(20,21)22/h3-9,12,23H,1-2,10-11H2.
What are the key properties of 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine?
1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine has a molecular weight of 387.85 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine is sourced from PubChem (CID 167199746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).