2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C11H15F3N2O2S2 — CID 102752142

IUPAC2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N2O2S2/c1-7-5-19-9(4-15-8-2-3-8)10(7)20(17,18)16-6-11(12,13)14/h5,8,15-16H,2-4,6H2,1H3
InChIKeyZKWJBLYLCSGERF-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.15
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102752142) has the molecular formula C11H15F3N2O2S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102752142
Molecular FormulaC11H15F3N2O2S2
Molecular Weight328.38 g/mol
Exact Mass328.05
IUPAC Name2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N2O2S2/c1-7-5-19-9(4-15-8-2-3-8)10(7)20(17,18)16-6-11(12,13)14/h5,8,15-16H,2-4,6H2,1H3
InChIKeyZKWJBLYLCSGERF-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102752142) is 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1csc(CNC2CC2)c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is ZKWJBLYLCSGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S2/c1-7-5-19-9(4-15-8-2-3-8)10(7)20(17,18)16-6-11(12,13)14/h5,8,15-16H,2-4,6H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 328.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).