N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C12H19F3N2O2S2 — CID 102751800

IUPACN,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2S2/c1-4-5-16-6-10-11(9(2)7-20-10)21(18,19)17(3)8-12(13,14)15/h7,16H,4-6,8H2,1-3H3
InChIKeyOQGHSANRZFBPAV-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.74
Rot. Bonds7

About N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102751800) has the molecular formula C12H19F3N2O2S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102751800
Molecular FormulaC12H19F3N2O2S2
Molecular Weight344.42 g/mol
Exact Mass344.08
IUPAC NameN,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2S2/c1-4-5-16-6-10-11(9(2)7-20-10)21(18,19)17(3)8-12(13,14)15/h7,16H,4-6,8H2,1-3H3
InChIKeyOQGHSANRZFBPAV-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102751800) is N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCCNCc1scc(C)c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is OQGHSANRZFBPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2S2/c1-4-5-16-6-10-11(9(2)7-20-10)21(18,19)17(3)8-12(13,14)15/h7,16H,4-6,8H2,1-3H3.
What are the key properties of N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 344.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102751800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).