1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one

C14H26N2O4S — CID 124628652

IUPAC1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one
SMILESCO[C@@H](C)CS(=O)(=O)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C14H26N2O4S/c1-12(20-2)11-21(18,19)15-9-6-13(7-10-15)16-8-4-3-5-14(16)17/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyFRPNUTKOTSOTHB-LBPRGKRZSA-N
MW318.44 g/mol
LogP0.83
Rot. Bonds5

About 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one

1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one (PubChem CID 124628652) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one
PubChem CID124628652
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one
SMILESCO[C@@H](C)CS(=O)(=O)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C14H26N2O4S/c1-12(20-2)11-21(18,19)15-9-6-13(7-10-15)16-8-4-3-5-14(16)17/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyFRPNUTKOTSOTHB-LBPRGKRZSA-N
XLogP0.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one (CID 124628652) is 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one is CO[C@@H](C)CS(=O)(=O)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one?
The InChIKey is FRPNUTKOTSOTHB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-12(20-2)11-21(18,19)15-9-6-13(7-10-15)16-8-4-3-5-14(16)17/h12-13H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one?
1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one has a molecular weight of 318.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-2-methoxypropyl]sulfonylpiperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 124628652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).