N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline

C7H8F5NS — CID 130659576

IUPACN-methyl-3-(pentafluoro-λ6-sulfanyl)aniline
SMILESCNc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H8F5NS/c1-13-6-3-2-4-7(5-6)14(8,9,10,11)12/h2-5,13H,1H3
InChIKeyDGNWMBDKZOQPHB-UHFFFAOYSA-N
MW233.21 g/mol
LogP4.39
Rot. Bonds2

About N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline

N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 130659576) has the molecular formula C7H8F5NS and a molecular weight of 233.21 g/mol. Its IUPAC name is N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound NameN-methyl-3-(pentafluoro-λ6-sulfanyl)aniline
PubChem CID130659576
Molecular FormulaC7H8F5NS
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC NameN-methyl-3-(pentafluoro-λ6-sulfanyl)aniline
SMILESCNc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H8F5NS/c1-13-6-3-2-4-7(5-6)14(8,9,10,11)12/h2-5,13H,1H3
InChIKeyDGNWMBDKZOQPHB-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylaniline
CID 7515
3-(Pentafluoro-lambda6-sulfanyl)aniline
CID 2779188
3-(Dimethylamino)thiophenol
CID 2758523
3-(Methylamino)benzene-1-thiol
CID 13745150
3-(Methylamino)benzene-1-sulfonamide
CID 22976826
4-(Methylamino)benzene-1-thiol
CID 53794801
N-methyl-3-(methylsulfanyl)aniline hydrochloride
CID 86182587
3-(Methylamino)benzene-1-sulfonyl fluoride
CID 139925950
2-(Methylamino)benzenethiol
CID 452161
Methyl(phenyl)azanium
CID 3494562
N-(3-pentafluorosulfanylphenyl)acetamide
CID 12992036
3-(Methylamino)benzene-1-sulfonamide hydrochloride
CID 155973731

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline (CID 130659576) is N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline is CNc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is DGNWMBDKZOQPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NS/c1-13-6-3-2-4-7(5-6)14(8,9,10,11)12/h2-5,13H,1H3.
What are the key properties of N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline?
N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 233.21 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 130659576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).