N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide

C9H14F3N5O2S — CID 102720467

IUPACN-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C9H14F3N5O2S/c1-20(18,19)15-3-2-14-7-4-6(9(10,11)12)5-8(16-7)17-13/h4-5,15H,2-3,13H2,1H3,(H2,14,16,17)
InChIKeyRVQSSPNYUXVKGB-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.35
Rot. Bonds6

About N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide

N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide (PubChem CID 102720467) has the molecular formula C9H14F3N5O2S and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
PubChem CID102720467
Molecular FormulaC9H14F3N5O2S
Molecular Weight313.31 g/mol
Exact Mass313.08
IUPAC NameN-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C9H14F3N5O2S/c1-20(18,19)15-3-2-14-7-4-6(9(10,11)12)5-8(16-7)17-13/h4-5,15H,2-3,13H2,1H3,(H2,14,16,17)
InChIKeyRVQSSPNYUXVKGB-UHFFFAOYSA-N
XLogP0.35
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3,3,3-Trifluoro-N-[2-[(4-methyl-2-pyridyl)amino]ethyl]prop-1-ene-1-sulfonamide
CID 71811244
3,3,3-trifluoro-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]prop-1-ene-1-sulfonamide
CID 123255436
[6-[4-(Trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-pyridinyl]methanamine
CID 165126441
N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
CID 166937009
[6-(4,4-Difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]hydrazine
CID 169266240
6-(4-Methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 169302845
6-hydrazinyl-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 177168153
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 37657489
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 43429876
N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 47356708
N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 55258085
N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 61778525

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide (CID 102720467) is N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide?
The InChIKey is RVQSSPNYUXVKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O2S/c1-20(18,19)15-3-2-14-7-4-6(9(10,11)12)5-8(16-7)17-13/h4-5,15H,2-3,13H2,1H3,(H2,14,16,17).
What are the key properties of N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide?
N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide has a molecular weight of 313.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 102720467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).