2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C10H14F3N3O2S — CID 106594255

IUPAC2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C10H14F3N3O2S/c1-2-16(7-10(11,12)13)19(17,18)9-4-3-5-15-8(9)6-14/h3-5H,2,6-7,14H2,1H3
InChIKeyJDHRWVZEBPMCMJ-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.11
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 106594255) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID106594255
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C10H14F3N3O2S/c1-2-16(7-10(11,12)13)19(17,18)9-4-3-5-15-8(9)6-14/h3-5H,2,6-7,14H2,1H3
InChIKeyJDHRWVZEBPMCMJ-UHFFFAOYSA-N
XLogP1.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
CID 106593798
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 106593972
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
CID 106594050
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 106593839
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 106594258
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 65427020
2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875
2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 106594255) is 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is JDHRWVZEBPMCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-2-16(7-10(11,12)13)19(17,18)9-4-3-5-15-8(9)6-14/h3-5H,2,6-7,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).