4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine

C16H27N3O4S — CID 25287608

IUPAC4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine
SMILESCCCS(=O)(=O)c1ncc(CN2CCOCC2)n1C[C@@H]1CCCO1
InChIInChI=1S/C16H27N3O4S/c1-2-10-24(20,21)16-17-11-14(12-18-5-8-22-9-6-18)19(16)13-15-4-3-7-23-15/h11,15H,2-10,12-13H2,1H3/t15-/m0/s1
InChIKeyUHTDVBOWFYBOCU-HNNXBMFYSA-N
MW357.48 g/mol
LogP1.08
Rot. Bonds7

About 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine

4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine (PubChem CID 25287608) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine
PubChem CID25287608
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine
SMILESCCCS(=O)(=O)c1ncc(CN2CCOCC2)n1C[C@@H]1CCCO1
InChIInChI=1S/C16H27N3O4S/c1-2-10-24(20,21)16-17-11-14(12-18-5-8-22-9-6-18)19(16)13-15-4-3-7-23-15/h11,15H,2-10,12-13H2,1H3/t15-/m0/s1
InChIKeyUHTDVBOWFYBOCU-HNNXBMFYSA-N
XLogP1.08
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine (CID 25287608) is 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine is CCCS(=O)(=O)c1ncc(CN2CCOCC2)n1C[C@@H]1CCCO1.
What is the InChIKey of 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine?
The InChIKey is UHTDVBOWFYBOCU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-2-10-24(20,21)16-17-11-14(12-18-5-8-22-9-6-18)19(16)13-15-4-3-7-23-15/h11,15H,2-10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine?
4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine has a molecular weight of 357.48 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]morpholine is sourced from PubChem (CID 25287608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).