4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

C14H15F2NS2 — CID 63993026

IUPAC4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccsc1C(C)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H15F2NS2/c1-9-7-8-18-13(9)10(2)17-11-3-5-12(6-4-11)19-14(15)16/h3-8,10,14,17H,1-2H3
InChIKeyQUDAFJQDZOKAPD-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.54
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 63993026) has the molecular formula C14H15F2NS2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID63993026
Molecular FormulaC14H15F2NS2
Molecular Weight299.41 g/mol
Exact Mass299.06
IUPAC Name4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccsc1C(C)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H15F2NS2/c1-9-7-8-18-13(9)10(2)17-11-3-5-12(6-4-11)19-14(15)16/h3-8,10,14,17H,1-2H3
InChIKeyQUDAFJQDZOKAPD-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentylsulfanyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63991268
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 63993060
N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63990671
3-chloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992819
2-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]propanenitrile
CID 63991844
N-[1-(3-methylthiophen-2-yl)ethyl]-4-piperidin-1-ylaniline
CID 63992461
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63991666
3-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63993464
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylaniline
CID 43759216
ethyl 4-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991436
4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63991282

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 63993026) is 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is Cc1ccsc1C(C)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is QUDAFJQDZOKAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS2/c1-9-7-8-18-13(9)10(2)17-11-3-5-12(6-4-11)19-14(15)16/h3-8,10,14,17H,1-2H3.
What are the key properties of 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 63993026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).