4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C11H17F3N2O2S2 — CID 61300564

IUPAC4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H17F3N2O2S2/c1-3-9(4-2)16(7-11(12,13)14)20(17,18)10-5-8(15)6-19-10/h5-6,9H,3-4,7,15H2,1-2H3
InChIKeyDHHPVQJXNLFHSV-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.07
Rot. Bonds6

About 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 61300564) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID61300564
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC Name4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H17F3N2O2S2/c1-3-9(4-2)16(7-11(12,13)14)20(17,18)10-5-8(15)6-19-10/h5-6,9H,3-4,7,15H2,1-2H3
InChIKeyDHHPVQJXNLFHSV-UHFFFAOYSA-N
XLogP3.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 61300564) is 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is DHHPVQJXNLFHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S2/c1-3-9(4-2)16(7-11(12,13)14)20(17,18)10-5-8(15)6-19-10/h5-6,9H,3-4,7,15H2,1-2H3.
What are the key properties of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 330.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61300564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).