2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine

C11H15F2NO2S2 — CID 133429859

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H15F2NO2S2/c1-14(2)7-8-17-9-3-5-10(6-4-9)18(15,16)11(12)13/h3-6,11H,7-8H2,1-2H3
InChIKeyYMYPHVAMJKZTKZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine

2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine (PubChem CID 133429859) has the molecular formula C11H15F2NO2S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine
PubChem CID133429859
Molecular FormulaC11H15F2NO2S2
Molecular Weight295.38 g/mol
Exact Mass295.05
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H15F2NO2S2/c1-14(2)7-8-17-9-3-5-10(6-4-9)18(15,16)11(12)13/h3-6,11H,7-8H2,1-2H3
InChIKeyYMYPHVAMJKZTKZ-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethylsulfanyl]phenol
CID 15222062
2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol
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magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride
CID 173311405
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene
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CID 162598602
CID 162598602
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1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 112820223
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine (CID 133429859) is 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine is CN(C)CCSc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is YMYPHVAMJKZTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S2/c1-14(2)7-8-17-9-3-5-10(6-4-9)18(15,16)11(12)13/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine?
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 133429859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).