N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide

C10H16FN3O2S — CID 71886414

IUPACN-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide
SMILESCN(CCCNc1cccc(F)n1)S(C)(=O)=O
InChIInChI=1S/C10H16FN3O2S/c1-14(17(2,15)16)8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,4,7-8H2,1-2H3,(H,12,13)
InChIKeyHONKHGNUYYMSBT-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.91
Rot. Bonds6

About N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide

N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide (PubChem CID 71886414) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide
PubChem CID71886414
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC NameN-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide
SMILESCN(CCCNc1cccc(F)n1)S(C)(=O)=O
InChIInChI=1S/C10H16FN3O2S/c1-14(17(2,15)16)8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,4,7-8H2,1-2H3,(H,12,13)
InChIKeyHONKHGNUYYMSBT-UHFFFAOYSA-N
XLogP0.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
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-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide (CID 71886414) is N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide is CN(CCCNc1cccc(F)n1)S(C)(=O)=O.
What is the InChIKey of N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide?
The InChIKey is HONKHGNUYYMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-14(17(2,15)16)8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,4,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide?
N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-fluoro-2-pyridinyl)amino]propyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71886414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).