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

C10H13F3N2O2S2 — CID 55010128

IUPAC5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)6-15(7-1-2-7)19(16,17)9-4-3-8(5-14)18-9/h3-4,7H,1-2,5-6,14H2
InChIKeyCHQQBJKTGWXPJD-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.92
Rot. Bonds5

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

5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 55010128) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID55010128
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C10H13F3N2O2S2/c11-10(12,13)6-15(7-1-2-7)19(16,17)9-4-3-8(5-14)18-9/h3-4,7H,1-2,5-6,14H2
InChIKeyCHQQBJKTGWXPJD-UHFFFAOYSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
5-(Aminomethyl)thiophene-2-sulfonamide hydrochloride
CID 16313695
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241
(5-(Piperidin-1-ylsulfonyl)thiophen-2-yl)methanamine
CID 16227277
(5-(Piperidine-1-sulfonyl)thiophen-2-yl)methanamine hydrochloride
CID 16344811
N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide
CID 60745829
2-[[Cyclopropyl(sulfamoyl)amino]methyl]thiophene
CID 71942535
(2S)-4,4-difluoro-3,3-dimethyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]butan-2-amine
CID 164628614
5-[(Dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
CID 137443212
5-(Azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide
CID 146611145
5-[(Cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
CID 146611524
(5-Chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium
CID 163871511

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 55010128) is 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is CHQQBJKTGWXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c11-10(12,13)6-15(7-1-2-7)19(16,17)9-4-3-8(5-14)18-9/h3-4,7H,1-2,5-6,14H2.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 314.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55010128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).