4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine

C14H20N2O5S2 — CID 1168274

IUPAC4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1
InChIInChI=1S/C14H20N2O5S2/c17-22(18,15-7-1-2-8-15)13-3-5-14(6-4-13)23(19,20)16-9-11-21-12-10-16/h3-6H,1-2,7-12H2
InChIKeyQYVBXJYYFWBNAH-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.49
Rot. Bonds4

About 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine

4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine (PubChem CID 1168274) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
PubChem CID1168274
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1
InChIInChI=1S/C14H20N2O5S2/c17-22(18,15-7-1-2-8-15)13-3-5-14(6-4-13)23(19,20)16-9-11-21-12-10-16/h3-6H,1-2,7-12H2
InChIKeyQYVBXJYYFWBNAH-UHFFFAOYSA-N
XLogP0.49
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine 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-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine (CID 1168274) is 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine is O=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine?
The InChIKey is QYVBXJYYFWBNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c17-22(18,15-7-1-2-8-15)13-3-5-14(6-4-13)23(19,20)16-9-11-21-12-10-16/h3-6H,1-2,7-12H2.
What are the key properties of 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine?
4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine has a molecular weight of 360.46 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine is sourced from PubChem (CID 1168274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).