N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine

C15H23NOS — CID 63648269

IUPACN-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
SMILESCSc1ccc(OCCCNC2CCCC2)cc1
InChIInChI=1S/C15H23NOS/c1-18-15-9-7-14(8-10-15)17-12-4-11-16-13-5-2-3-6-13/h7-10,13,16H,2-6,11-12H2,1H3
InChIKeyOJBXKVYTVRACSG-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine

N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine (PubChem CID 63648269) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
PubChem CID63648269
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
SMILESCSc1ccc(OCCCNC2CCCC2)cc1
InChIInChI=1S/C15H23NOS/c1-18-15-9-7-14(8-10-15)17-12-4-11-16-13-5-2-3-6-13/h7-10,13,16H,2-6,11-12H2,1H3
InChIKeyOJBXKVYTVRACSG-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
N-[3-(4-tert-butylphenoxy)propyl]cyclopentanamine;oxalic acid
CID 2948780
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine?
The IUPAC name of N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine (CID 63648269) is N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine is CSc1ccc(OCCCNC2CCCC2)cc1.
What is the InChIKey of N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine?
The InChIKey is OJBXKVYTVRACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-15-9-7-14(8-10-15)17-12-4-11-16-13-5-2-3-6-13/h7-10,13,16H,2-6,11-12H2,1H3.
What are the key properties of N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine?
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine has a molecular weight of 265.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine is sourced from PubChem (CID 63648269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).