5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C9H13F3N2O3S2 — CID 107480969

IUPAC5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)N(CCO)CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2O3S2/c10-9(11,12)6-14(3-4-15)19(16,17)8-2-1-7(5-13)18-8/h1-2,15H,3-6,13H2
InChIKeyASGJAKLITGAZOI-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.75
Rot. Bonds6

About 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 107480969) has the molecular formula C9H13F3N2O3S2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID107480969
Molecular FormulaC9H13F3N2O3S2
Molecular Weight318.34 g/mol
Exact Mass318.03
IUPAC Name5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)N(CCO)CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2O3S2/c10-9(11,12)6-14(3-4-15)19(16,17)8-2-1-7(5-13)18-8/h1-2,15H,3-6,13H2
InChIKeyASGJAKLITGAZOI-UHFFFAOYSA-N
XLogP0.75
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 107480969) is 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)N(CCO)CC(F)(F)F)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is ASGJAKLITGAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3S2/c10-9(11,12)6-14(3-4-15)19(16,17)8-2-1-7(5-13)18-8/h1-2,15H,3-6,13H2.
What are the key properties of 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 318.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107480969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).