5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide

C10H13F3N2O2S2 — CID 106215404

IUPAC5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)9(4-5-9)15-19(16,17)8-2-1-7(18-8)3-6-14/h1-2,15H,3-6,14H2
InChIKeyYRBGLGMPMAMMII-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.62
Rot. Bonds5

About 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide

5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide (PubChem CID 106215404) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide
PubChem CID106215404
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)9(4-5-9)15-19(16,17)8-2-1-7(18-8)3-6-14/h1-2,15H,3-6,14H2
InChIKeyYRBGLGMPMAMMII-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide (CID 106215404) is 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide?
The InChIKey is YRBGLGMPMAMMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c11-10(12,13)9(4-5-9)15-19(16,17)8-2-1-7(18-8)3-6-14/h1-2,15H,3-6,14H2.
What are the key properties of 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide has a molecular weight of 314.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106215404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).