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

C11H17FN2OS — CID 68561497

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2OS/c1-8(14-16(15)11(2,3)4)10-6-5-9(12)7-13-10/h5-8,14H,1-4H3
InChIKeyBAWJTWRNDKQESC-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.33
Rot. Bonds3

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

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 68561497) has the molecular formula C11H17FN2OS and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID68561497
Molecular FormulaC11H17FN2OS
Molecular Weight244.33 g/mol
Exact Mass244.10
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2OS/c1-8(14-16(15)11(2,3)4)10-6-5-9(12)7-13-10/h5-8,14H,1-4H3
InChIKeyBAWJTWRNDKQESC-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278122
N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide
CID 68946827
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
(R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 129073637
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058
N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 134229704
(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 122491233
2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine
CID 59539521
(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide
CID 129387650

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (CID 68561497) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BAWJTWRNDKQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2OS/c1-8(14-16(15)11(2,3)4)10-6-5-9(12)7-13-10/h5-8,14H,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 244.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 68561497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).