2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide

C11H17F3N2O3S2 — CID 106433836

IUPAC2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H17F3N2O3S2/c1-7-9(6-15-3)10(8(2)19-7)21(17,18)16-4-5-20-11(12,13)14/h15-16H,4-6H2,1-3H3
InChIKeyDTDAIUXBMSXXEE-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.15
Rot. Bonds7

About 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide

2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide (PubChem CID 106433836) has the molecular formula C11H17F3N2O3S2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
PubChem CID106433836
Molecular FormulaC11H17F3N2O3S2
Molecular Weight346.40 g/mol
Exact Mass346.06
IUPAC Name2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H17F3N2O3S2/c1-7-9(6-15-3)10(8(2)19-7)21(17,18)16-4-5-20-11(12,13)14/h15-16H,4-6H2,1-3H3
InChIKeyDTDAIUXBMSXXEE-UHFFFAOYSA-N
XLogP2.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433633
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059178
N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106024727
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602
4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide
CID 115522681
2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063009
N-(2-ethoxypropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106078802
N-(3-methoxy-2-methylpropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106050786
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089517
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430253
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide (CID 106433836) is 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The InChIKey is DTDAIUXBMSXXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S2/c1-7-9(6-15-3)10(8(2)19-7)21(17,18)16-4-5-20-11(12,13)14/h15-16H,4-6H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide has a molecular weight of 346.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106433836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).