4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C11H15F3N2O2S2 — CID 61298628

IUPAC4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H15F3N2O2S2/c1-7(8-2-3-8)16(6-11(12,13)14)20(17,18)10-4-9(15)5-19-10/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyPSJSVZYRIFDUOV-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.68
Rot. Bonds5

About 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 61298628) has the molecular formula C11H15F3N2O2S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID61298628
Molecular FormulaC11H15F3N2O2S2
Molecular Weight328.38 g/mol
Exact Mass328.05
IUPAC Name4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H15F3N2O2S2/c1-7(8-2-3-8)16(6-11(12,13)14)20(17,18)10-4-9(15)5-19-10/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyPSJSVZYRIFDUOV-UHFFFAOYSA-N
XLogP2.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 61298628) is 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is PSJSVZYRIFDUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S2/c1-7(8-2-3-8)16(6-11(12,13)14)20(17,18)10-4-9(15)5-19-10/h4-5,7-8H,2-3,6,15H2,1H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 328.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61298628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).