4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine

C17H26N2O4S — CID 50985549

IUPAC4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine
SMILESCS(=O)(=O)Cc1ccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)nc1
InChIInChI=1S/C17H26N2O4S/c1-24(20,21)13-14-2-3-15(18-11-14)10-16-4-5-17(23-16)12-19-6-8-22-9-7-19/h2-3,11,16-17H,4-10,12-13H2,1H3/t16-,17+/m0/s1
InChIKeyWJVCAHNJHRUCBY-DLBZAZTESA-N
MW354.47 g/mol
LogP1.05
Rot. Bonds6

About 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine

4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine (PubChem CID 50985549) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine
PubChem CID50985549
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine
SMILESCS(=O)(=O)Cc1ccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)nc1
InChIInChI=1S/C17H26N2O4S/c1-24(20,21)13-14-2-3-15(18-11-14)10-16-4-5-17(23-16)12-19-6-8-22-9-7-19/h2-3,11,16-17H,4-10,12-13H2,1H3/t16-,17+/m0/s1
InChIKeyWJVCAHNJHRUCBY-DLBZAZTESA-N
XLogP1.05
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine (CID 50985549) is 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine is CS(=O)(=O)Cc1ccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)nc1.
What is the InChIKey of 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine?
The InChIKey is WJVCAHNJHRUCBY-DLBZAZTESA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-24(20,21)13-14-2-3-15(18-11-14)10-16-4-5-17(23-16)12-19-6-8-22-9-7-19/h2-3,11,16-17H,4-10,12-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine?
4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine has a molecular weight of 354.47 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,5S)-5-[[5-(methylsulfonylmethyl)-2-pyridinyl]methyl]oxolan-2-yl]methyl]morpholine is sourced from PubChem (CID 50985549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).