2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide

C11H17F3N2O2S2 — CID 115522943

IUPAC2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S2/c1-15-8-9-10(4-7-19-9)20(17,18)16-6-3-2-5-11(12,13)14/h4,7,15-16H,2-3,5-6,8H2,1H3
InChIKeyRVECMHZYQOGPNN-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.48
Rot. Bonds8

About 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide

2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide (PubChem CID 115522943) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
PubChem CID115522943
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC Name2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S2/c1-15-8-9-10(4-7-19-9)20(17,18)16-6-3-2-5-11(12,13)14/h4,7,15-16H,2-3,5-6,8H2,1H3
InChIKeyRVECMHZYQOGPNN-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106095186
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642
N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055204
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106002506
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
2-bromo-4-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486665

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide (CID 115522943) is 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide?
The InChIKey is RVECMHZYQOGPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S2/c1-15-8-9-10(4-7-19-9)20(17,18)16-6-3-2-5-11(12,13)14/h4,7,15-16H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide?
2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide has a molecular weight of 330.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 115522943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).