5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C9H13F3N2O2S2 — CID 60890460

IUPAC5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C9H13F3N2O2S2/c1-14(6-9(10,11)12)18(15,16)8-3-2-7(17-8)4-5-13/h2-3H,4-6,13H2,1H3
InChIKeyMXNVZHALXDVVBF-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.43
Rot. Bonds5

About 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 60890460) has the molecular formula C9H13F3N2O2S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID60890460
Molecular FormulaC9H13F3N2O2S2
Molecular Weight302.34 g/mol
Exact Mass302.04
IUPAC Name5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C9H13F3N2O2S2/c1-14(6-9(10,11)12)18(15,16)8-3-2-7(17-8)4-5-13/h2-3H,4-6,13H2,1H3
InChIKeyMXNVZHALXDVVBF-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
N-[2-(dimethylamino)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 6602863
5-(2-Aminoethyl)thiophene-2-sulfonamide
CID 4961948
5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
5-(2-Aminoethyl)thiophene-2-sulfonamide hydrochloride
CID 20203298
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133893
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241
5-(aminomethyl)-N-ethylthiophene-2-sulfonamide
CID 43155678
5-(Aminomethyl)thiophene-2-sulfonamide hydrochloride
CID 16313695
5-(aminomethyl)-N-methylthiophene-2-sulfonamide hydrochloride
CID 16340559
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonyl chloride
CID 24689074
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonamide
CID 43134135

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 60890460) is 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is MXNVZHALXDVVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2S2/c1-14(6-9(10,11)12)18(15,16)8-3-2-7(17-8)4-5-13/h2-3H,4-6,13H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 302.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 60890460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).