5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine

C13H21NOS — CID 115646803

IUPAC5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
SMILESCNC(CCCOC)CSc1ccccc1
InChIInChI=1S/C13H21NOS/c1-14-12(7-6-10-15-2)11-16-13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKeyUGHKDKASOULDTM-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.79
Rot. Bonds8

About 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine

5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine (PubChem CID 115646803) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
PubChem CID115646803
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
SMILESCNC(CCCOC)CSc1ccccc1
InChIInChI=1S/C13H21NOS/c1-14-12(7-6-10-15-2)11-16-13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKeyUGHKDKASOULDTM-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine (CID 115646803) is 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine is CNC(CCCOC)CSc1ccccc1.
What is the InChIKey of 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine?
The InChIKey is UGHKDKASOULDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-14-12(7-6-10-15-2)11-16-13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine?
5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine is sourced from PubChem (CID 115646803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).