N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide

C8H12FN3O2S — CID 47356708

IUPACN-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cccc(F)n1
InChIInChI=1S/C8H12FN3O2S/c1-15(13,14)11-6-5-10-8-4-2-3-7(9)12-8/h2-4,11H,5-6H2,1H3,(H,10,12)
InChIKeyFYDPNDUAJCNSJM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.18
Rot. Bonds5

About N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide

N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide (PubChem CID 47356708) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
PubChem CID47356708
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC NameN-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cccc(F)n1
InChIInChI=1S/C8H12FN3O2S/c1-15(13,14)11-6-5-10-8-4-2-3-7(9)12-8/h2-4,11H,5-6H2,1H3,(H,10,12)
InChIKeyFYDPNDUAJCNSJM-UHFFFAOYSA-N
XLogP0.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide (CID 47356708) is N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1cccc(F)n1.
What is the InChIKey of N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide?
The InChIKey is FYDPNDUAJCNSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-15(13,14)11-6-5-10-8-4-2-3-7(9)12-8/h2-4,11H,5-6H2,1H3,(H,10,12).
What are the key properties of N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide?
N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide has a molecular weight of 233.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 47356708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).