2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C10H15F3N2O2S2 — CID 102752912

IUPAC2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C10H15F3N2O2S2/c1-3-15(6-10(11,12)13)19(16,17)9-7(2)5-18-8(9)4-14/h5H,3-4,6,14H2,1-2H3
InChIKeyZOSYDLZWYUSYSD-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.09
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102752912) has the molecular formula C10H15F3N2O2S2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102752912
Molecular FormulaC10H15F3N2O2S2
Molecular Weight316.37 g/mol
Exact Mass316.05
IUPAC Name2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C10H15F3N2O2S2/c1-3-15(6-10(11,12)13)19(16,17)9-7(2)5-18-8(9)4-14/h5H,3-4,6,14H2,1-2H3
InChIKeyZOSYDLZWYUSYSD-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102752912) is 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is ZOSYDLZWYUSYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S2/c1-3-15(6-10(11,12)13)19(16,17)9-7(2)5-18-8(9)4-14/h5H,3-4,6,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 316.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).