N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide

C10H16FN3O2S — CID 55258085

IUPACN-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cccc(F)n1)NS(C)(=O)=O
InChIInChI=1S/C10H16FN3O2S/c1-10(2,14-17(3,15)16)7-12-9-6-4-5-8(11)13-9/h4-6,14H,7H2,1-3H3,(H,12,13)
InChIKeyKBGLCFPYRQCXNB-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.96
Rot. Bonds5

About N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 55258085) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID55258085
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC NameN-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cccc(F)n1)NS(C)(=O)=O
InChIInChI=1S/C10H16FN3O2S/c1-10(2,14-17(3,15)16)7-12-9-6-4-5-8(11)13-9/h4-6,14H,7H2,1-3H3,(H,12,13)
InChIKeyKBGLCFPYRQCXNB-UHFFFAOYSA-N
XLogP0.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 55258085) is N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1cccc(F)n1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is KBGLCFPYRQCXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-10(2,14-17(3,15)16)7-12-9-6-4-5-8(11)13-9/h4-6,14H,7H2,1-3H3,(H,12,13).
What are the key properties of N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-fluoro-2-pyridinyl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 55258085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).