N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide

C12H19FN2O3S2 — CID 68946827

IUPACN-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CS(C)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O3S2/c1-12(2,3)19(16)15-11(8-20(4,17)18)10-6-5-9(13)7-14-10/h5-7,11,15H,8H2,1-4H3
InChIKeyDLHGAJCFRGMOSZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.36
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide

N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 68946827) has the molecular formula C12H19FN2O3S2 and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide
PubChem CID68946827
Molecular FormulaC12H19FN2O3S2
Molecular Weight322.43 g/mol
Exact Mass322.08
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CS(C)(=O)=O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O3S2/c1-12(2,3)19(16)15-11(8-20(4,17)18)10-6-5-9(13)7-14-10/h5-7,11,15H,8H2,1-4H3
InChIKeyDLHGAJCFRGMOSZ-UHFFFAOYSA-N
XLogP1.36
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 68561497
N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 118391797
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 121400956
[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl] methanesulfonate
CID 89392644
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
(S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 129130094
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416892
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide (CID 68946827) is N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CS(C)(=O)=O)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is DLHGAJCFRGMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S2/c1-12(2,3)19(16)15-11(8-20(4,17)18)10-6-5-9(13)7-14-10/h5-7,11,15H,8H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide?
N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 322.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 68946827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).