4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide

C11H17F3N2O3S2 — CID 106064612

IUPAC4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3S2/c1-8-6-20-9(5-15-2)10(8)21(17,18)16-3-4-19-7-11(12,13)14/h6,15-16H,3-5,7H2,1-2H3
InChIKeyYYFWKLGCKUUNBV-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.63
Rot. Bonds8

About 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide (PubChem CID 106064612) has the molecular formula C11H17F3N2O3S2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
PubChem CID106064612
Molecular FormulaC11H17F3N2O3S2
Molecular Weight346.40 g/mol
Exact Mass346.06
IUPAC Name4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3S2/c1-8-6-20-9(5-15-2)10(8)21(17,18)16-3-4-19-7-11(12,13)14/h6,15-16H,3-5,7H2,1-2H3
InChIKeyYYFWKLGCKUUNBV-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.63
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

N,4-dimethyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751791
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751795
N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751797
2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751798
N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751800
4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752139
2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752142
4-methyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752143
2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752146
4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752148
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752909
2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752912

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide (CID 106064612) is 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide?
The InChIKey is YYFWKLGCKUUNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S2/c1-8-6-20-9(5-15-2)10(8)21(17,18)16-3-4-19-7-11(12,13)14/h6,15-16H,3-5,7H2,1-2H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide has a molecular weight of 346.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106064612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).