2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C11H17F3N2O2S2 — CID 102751798

IUPAC2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S2/c1-4-15-5-9-10(8(2)6-19-9)20(17,18)16(3)7-11(12,13)14/h6,15H,4-5,7H2,1-3H3
InChIKeyUAMMMQIAIJWCEA-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.35
Rot. Bonds6

About 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102751798) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102751798
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC Name2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S2/c1-4-15-5-9-10(8(2)6-19-9)20(17,18)16(3)7-11(12,13)14/h6,15H,4-5,7H2,1-3H3
InChIKeyUAMMMQIAIJWCEA-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102751798) is 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is UAMMMQIAIJWCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S2/c1-4-15-5-9-10(8(2)6-19-9)20(17,18)16(3)7-11(12,13)14/h6,15H,4-5,7H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 330.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102751798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).