N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide

C9H15F2N5O2S — CID 106332450

IUPACN-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1nc(NN)c(F)cc1F
InChIInChI=1S/C9H15F2N5O2S/c1-19(17,18)14-4-2-3-13-8-6(10)5-7(11)9(15-8)16-12/h5,14H,2-4,12H2,1H3,(H2,13,15,16)
InChIKeyATPFWBXTHLSKOI-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.00
Rot. Bonds7

About N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide

N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide (PubChem CID 106332450) has the molecular formula C9H15F2N5O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide
PubChem CID106332450
Molecular FormulaC9H15F2N5O2S
Molecular Weight295.32 g/mol
Exact Mass295.09
IUPAC NameN-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1nc(NN)c(F)cc1F
InChIInChI=1S/C9H15F2N5O2S/c1-19(17,18)14-4-2-3-13-8-6(10)5-7(11)9(15-8)16-12/h5,14H,2-4,12H2,1H3,(H2,13,15,16)
InChIKeyATPFWBXTHLSKOI-UHFFFAOYSA-N
XLogP-0.00
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.00
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'}

Analyze N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide with MolForge

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Related Compounds

3-fluoro-6-hydrazinyl-N-methylpyridin-2-amine
CID 146279425
N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
CID 166937009
N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 47356708
3-[(6-Fluoro-2-pyridinyl)amino]propane-1-sulfonamide
CID 61877119
N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide
CID 71886414
6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 80914565
6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80944171
N-[2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 102720467
6-hydrazinyl-N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720503
3-[[6-Hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 102720651
6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720887
N-[3-[(3,5-difluoro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 104020698

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide (CID 106332450) is N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1nc(NN)c(F)cc1F.
What is the InChIKey of N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The InChIKey is ATPFWBXTHLSKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5O2S/c1-19(17,18)14-4-2-3-13-8-6(10)5-7(11)9(15-8)16-12/h5,14H,2-4,12H2,1H3,(H2,13,15,16).
What are the key properties of N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide?
N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide has a molecular weight of 295.32 g/mol, XLogP of -0.00, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).