2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide

C11H15F3N2O2S2 — CID 106218789

IUPAC2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c(C)s1
InChIInChI=1S/C11H15F3N2O2S2/c1-7-9(5-8(19-7)6-15-2)20(17,18)16-10(3-4-10)11(12,13)14/h5,15-16H,3-4,6H2,1-2H3
InChIKeyJAANPAAILZCGRQ-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.15
Rot. Bonds5

About 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide

2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide (PubChem CID 106218789) has the molecular formula C11H15F3N2O2S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
PubChem CID106218789
Molecular FormulaC11H15F3N2O2S2
Molecular Weight328.38 g/mol
Exact Mass328.05
IUPAC Name2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c(C)s1
InChIInChI=1S/C11H15F3N2O2S2/c1-7-9(5-8(19-7)6-15-2)20(17,18)16-10(3-4-10)11(12,13)14/h5,15-16H,3-4,6H2,1-2H3
InChIKeyJAANPAAILZCGRQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4,4-difluoro-3,3-dimethyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]butan-2-amine
CID 164628614
1-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]-N-methylmethanamine
CID 169633150
5-[1-(Difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 43134152
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009505
5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009650
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009694
5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009695
5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55010128
5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 60890273
5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 60890460
5-(2-aminoethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61606805
5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61606935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide (CID 106218789) is 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c(C)s1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide?
The InChIKey is JAANPAAILZCGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S2/c1-7-9(5-8(19-7)6-15-2)20(17,18)16-10(3-4-10)11(12,13)14/h5,15-16H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide?
2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide has a molecular weight of 328.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106218789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).