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

C12H19FN2OS — CID 142702173

IUPACN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2OS/c1-5-10(15-17(16)12(2,3)4)11-7-6-9(13)8-14-11/h6-8,10,15H,5H2,1-4H3/t10-,17?/m0/s1
InChIKeyVRJBAHKKICOINZ-YOZOHBORSA-N
MW258.36 g/mol
LogP2.72
Rot. Bonds4

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

N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 142702173) has the molecular formula C12H19FN2OS and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID142702173
Molecular FormulaC12H19FN2OS
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC NameN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2OS/c1-5-10(15-17(16)12(2,3)4)11-7-6-9(13)8-14-11/h6-8,10,15H,5H2,1-4H3/t10-,17?/m0/s1
InChIKeyVRJBAHKKICOINZ-YOZOHBORSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide (CID 142702173) is N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide is CC[C@H](NS(=O)C(C)(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VRJBAHKKICOINZ-YOZOHBORSA-N. The full InChI is InChI=1S/C12H19FN2OS/c1-5-10(15-17(16)12(2,3)4)11-7-6-9(13)8-14-11/h6-8,10,15H,5H2,1-4H3/t10-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 258.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 142702173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).