4-propan-2-ylsulfonylmorpholine

C7H15NO3S — CID 22980234

IUPAC4-propan-2-ylsulfonylmorpholine
SMILESCC(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7H,3-6H2,1-2H3
InChIKeyHQXLQDADKJVHSF-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds2

About 4-propan-2-ylsulfonylmorpholine

4-propan-2-ylsulfonylmorpholine (PubChem CID 22980234) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-propan-2-ylsulfonylmorpholine.

Molecular Properties

Compound Name4-propan-2-ylsulfonylmorpholine
PubChem CID22980234
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-propan-2-ylsulfonylmorpholine
SMILESCC(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7H,3-6H2,1-2H3
InChIKeyHQXLQDADKJVHSF-UHFFFAOYSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-ylsulfonylmorpholine 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-propan-2-ylsulfonylmorpholine?
The IUPAC name of 4-propan-2-ylsulfonylmorpholine (CID 22980234) is 4-propan-2-ylsulfonylmorpholine.
What is the SMILES notation for 4-propan-2-ylsulfonylmorpholine?
The canonical SMILES for 4-propan-2-ylsulfonylmorpholine is CC(C)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-propan-2-ylsulfonylmorpholine?
The InChIKey is HQXLQDADKJVHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylsulfonylmorpholine?
4-propan-2-ylsulfonylmorpholine has a molecular weight of 193.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonylmorpholine is sourced from PubChem (CID 22980234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).