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

C8H11F3N2O2S2 — CID 60890273

IUPAC5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C8H11F3N2O2S2/c1-13(5-8(9,10)11)17(14,15)7-3-2-6(4-12)16-7/h2-3H,4-5,12H2,1H3
InChIKeyCJEQKOVHQCQXLU-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.39
Rot. Bonds4

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

5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 60890273) has the molecular formula C8H11F3N2O2S2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID60890273
Molecular FormulaC8H11F3N2O2S2
Molecular Weight288.32 g/mol
Exact Mass288.02
IUPAC Name5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C8H11F3N2O2S2/c1-13(5-8(9,10)11)17(14,15)7-3-2-6(4-12)16-7/h2-3H,4-5,12H2,1H3
InChIKeyCJEQKOVHQCQXLU-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide
CID 4293
5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
[5-[(4-Methylsulfonyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
CID 155517450
US10807974, Example 12
CID 130358029
US10807974, Example 13
CID 130358040
[5-[(4-Methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
CID 43155654
5-(2-Aminoethyl)thiophene-2-sulfonamide
CID 4961948
US10807974, Example 8
CID 130345054
5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
5-(2-Aminoethyl)thiophene-2-sulfonamide hydrochloride
CID 20203298
(5-Methanesulfonylthiophen-2-yl)methanamine hydrochloride
CID 71756062
[5-(Ethanesulfonyl)thiophen-2-yl]methanamine hydrochloride
CID 91647541

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 60890273) is 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is CJEQKOVHQCQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2S2/c1-13(5-8(9,10)11)17(14,15)7-3-2-6(4-12)16-7/h2-3H,4-5,12H2,1H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 288.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 60890273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).