N,N-diethyl-4-phenylsulfanylaniline

C16H19NS — CID 86062557

IUPACN,N-diethyl-4-phenylsulfanylaniline
SMILESCCN(CC)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H19NS/c1-3-17(4-2)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyJKUIKQKGPQPEKJ-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.68
Rot. Bonds5

About N,N-diethyl-4-phenylsulfanylaniline

N,N-diethyl-4-phenylsulfanylaniline (PubChem CID 86062557) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N,N-diethyl-4-phenylsulfanylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-phenylsulfanylaniline
PubChem CID86062557
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN,N-diethyl-4-phenylsulfanylaniline
SMILESCCN(CC)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H19NS/c1-3-17(4-2)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyJKUIKQKGPQPEKJ-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-phenylsulfanylaniline?
The IUPAC name of N,N-diethyl-4-phenylsulfanylaniline (CID 86062557) is N,N-diethyl-4-phenylsulfanylaniline.
What is the SMILES notation for N,N-diethyl-4-phenylsulfanylaniline?
The canonical SMILES for N,N-diethyl-4-phenylsulfanylaniline is CCN(CC)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-phenylsulfanylaniline?
The InChIKey is JKUIKQKGPQPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-3-17(4-2)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-phenylsulfanylaniline?
N,N-diethyl-4-phenylsulfanylaniline has a molecular weight of 257.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenylsulfanylaniline is sourced from PubChem (CID 86062557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).