5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

C9H13F3N2O2S2 — CID 55174564

IUPAC5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2O2S2/c10-9(11,12)4-6-14-18(15,16)8-2-1-7(17-8)3-5-13/h1-2,14H,3-6,13H2
InChIKeyZUZJXMNFAVCYDW-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.48
Rot. Bonds6

About 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (PubChem CID 55174564) has the molecular formula C9H13F3N2O2S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
PubChem CID55174564
Molecular FormulaC9H13F3N2O2S2
Molecular Weight302.34 g/mol
Exact Mass302.04
IUPAC Name5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2O2S2/c10-9(11,12)4-6-14-18(15,16)8-2-1-7(17-8)3-5-13/h1-2,14H,3-6,13H2
InChIKeyZUZJXMNFAVCYDW-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)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-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (CID 55174564) is 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)NCCC(F)(F)F)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The InChIKey is ZUZJXMNFAVCYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2S2/c10-9(11,12)4-6-14-18(15,16)8-2-1-7(17-8)3-5-13/h1-2,14H,3-6,13H2.
What are the key properties of 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide has a molecular weight of 302.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55174564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).