N,N-dimethyl-3-phenylsulfanylaniline

C14H15NS — CID 22761235

IUPACN,N-dimethyl-3-phenylsulfanylaniline
SMILESCN(C)c1cccc(Sc2ccccc2)c1
InChIInChI=1S/C14H15NS/c1-15(2)12-7-6-10-14(11-12)16-13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeySARWRHSYIKNWTM-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.90
Rot. Bonds3

About N,N-dimethyl-3-phenylsulfanylaniline

N,N-dimethyl-3-phenylsulfanylaniline (PubChem CID 22761235) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylsulfanylaniline.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylsulfanylaniline
PubChem CID22761235
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC NameN,N-dimethyl-3-phenylsulfanylaniline
SMILESCN(C)c1cccc(Sc2ccccc2)c1
InChIInChI=1S/C14H15NS/c1-15(2)12-7-6-10-14(11-12)16-13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeySARWRHSYIKNWTM-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
N,N-dimethylaniline
CID 70392672
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
CID 69241188
CID 69241188
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
CID 79403547
azanylidyneazanium;N,N-dimethylaniline;chloride
CID 23457952
methoxymethane;phenylsulfanylbenzene
CID 175087336

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenylsulfanylaniline?
The IUPAC name of N,N-dimethyl-3-phenylsulfanylaniline (CID 22761235) is N,N-dimethyl-3-phenylsulfanylaniline.
What is the SMILES notation for N,N-dimethyl-3-phenylsulfanylaniline?
The canonical SMILES for N,N-dimethyl-3-phenylsulfanylaniline is CN(C)c1cccc(Sc2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-phenylsulfanylaniline?
The InChIKey is SARWRHSYIKNWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-15(2)12-7-6-10-14(11-12)16-13-8-4-3-5-9-13/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-3-phenylsulfanylaniline?
N,N-dimethyl-3-phenylsulfanylaniline has a molecular weight of 229.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylsulfanylaniline is sourced from PubChem (CID 22761235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).