N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine

C15H24FN3O2S — CID 99852900

IUPACN-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(C)[C@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cn1
InChIInChI=1S/C15H24FN3O2S/c1-11(2)15(14-5-4-12(16)10-17-14)18-13-6-8-19(9-7-13)22(3,20)21/h4-5,10-11,13,15,18H,6-9H2,1-3H3/t15-/m0/s1
InChIKeyAHHLIFBAJDYKOK-HNNXBMFYSA-N
MW329.44 g/mol
LogP1.93
Rot. Bonds5

About N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine

N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 99852900) has the molecular formula C15H24FN3O2S and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID99852900
Molecular FormulaC15H24FN3O2S
Molecular Weight329.44 g/mol
Exact Mass329.16
IUPAC NameN-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(C)[C@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cn1
InChIInChI=1S/C15H24FN3O2S/c1-11(2)15(14-5-4-12(16)10-17-14)18-13-6-8-19(9-7-13)22(3,20)21/h4-5,10-11,13,15,18H,6-9H2,1-3H3/t15-/m0/s1
InChIKeyAHHLIFBAJDYKOK-HNNXBMFYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine (CID 99852900) is N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine is CC(C)[C@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cn1.
What is the InChIKey of N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is AHHLIFBAJDYKOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24FN3O2S/c1-11(2)15(14-5-4-12(16)10-17-14)18-13-6-8-19(9-7-13)22(3,20)21/h4-5,10-11,13,15,18H,6-9H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine?
N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 329.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methylpropyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 99852900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).