N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide

C9H12F3N3O2S — CID 43429876

IUPACN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C9H12F3N3O2S/c1-18(16,17)15-6-5-14-8-7(9(10,11)12)3-2-4-13-8/h2-4,15H,5-6H2,1H3,(H,13,14)
InChIKeyMYTBDMKWIPUOMO-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.06
Rot. Bonds5

About N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide

N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide (PubChem CID 43429876) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
PubChem CID43429876
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C9H12F3N3O2S/c1-18(16,17)15-6-5-14-8-7(9(10,11)12)3-2-4-13-8/h2-4,15H,5-6H2,1H3,(H,13,14)
InChIKeyMYTBDMKWIPUOMO-UHFFFAOYSA-N
XLogP1.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
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-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide (CID 43429876) is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ncccc1C(F)(F)F.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide?
The InChIKey is MYTBDMKWIPUOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-18(16,17)15-6-5-14-8-7(9(10,11)12)3-2-4-13-8/h2-4,15H,5-6H2,1H3,(H,13,14).
What are the key properties of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide?
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide has a molecular weight of 283.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43429876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).