N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine

C15H17F3N2O2S2 — CID 42958412

IUPACN,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESCN(C)C(CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C15H17F3N2O2S2/c1-20(2)12(13-7-5-9-23-13)10-19-11-6-3-4-8-14(11)24(21,22)15(16,17)18/h3-9,12,19H,10H2,1-2H3
InChIKeyJULKSOYHLDFNKP-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.76
Rot. Bonds6

About N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine

N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine (PubChem CID 42958412) has the molecular formula C15H17F3N2O2S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
PubChem CID42958412
Molecular FormulaC15H17F3N2O2S2
Molecular Weight378.44 g/mol
Exact Mass378.07
IUPAC NameN,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESCN(C)C(CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C15H17F3N2O2S2/c1-20(2)12(13-7-5-9-23-13)10-19-11-6-3-4-8-14(11)24(21,22)15(16,17)18/h3-9,12,19H,10H2,1-2H3
InChIKeyJULKSOYHLDFNKP-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
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2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
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1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
N,N-dimethyl-N'-(methylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621528
(3R)-3-[[2-(trifluoromethylsulfonyl)anilino]methyl]pentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine (CID 42958412) is N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine is CN(C)C(CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The InChIKey is JULKSOYHLDFNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2S2/c1-20(2)12(13-7-5-9-23-13)10-19-11-6-3-4-8-14(11)24(21,22)15(16,17)18/h3-9,12,19H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine has a molecular weight of 378.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 42958412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).