4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C10H15F3N2O2S2 — CID 61300173

IUPAC4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H15F3N2O2S2/c1-7(2)4-15(6-10(11,12)13)19(16,17)9-3-8(14)5-18-9/h3,5,7H,4,6,14H2,1-2H3
InChIKeyWIOGSNXPQBEQGD-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.54
Rot. Bonds5

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

4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 61300173) has the molecular formula C10H15F3N2O2S2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID61300173
Molecular FormulaC10H15F3N2O2S2
Molecular Weight316.37 g/mol
Exact Mass316.05
IUPAC Name4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H15F3N2O2S2/c1-7(2)4-15(6-10(11,12)13)19(16,17)9-3-8(14)5-18-9/h3,5,7H,4,6,14H2,1-2H3
InChIKeyWIOGSNXPQBEQGD-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 61300173) is 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is WIOGSNXPQBEQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S2/c1-7(2)4-15(6-10(11,12)13)19(16,17)9-3-8(14)5-18-9/h3,5,7H,4,6,14H2,1-2H3.
What are the key properties of 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 316.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61300173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).