2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline

C15H23N3O3S — CID 3870903

IUPAC2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H23N3O3S/c16-14-12-13(22(19,20)18-6-2-1-3-7-18)4-5-15(14)17-8-10-21-11-9-17/h4-5,12H,1-3,6-11,16H2
InChIKeySWWOIEPBBNXTQP-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.28
Rot. Bonds3

About 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline

2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline (PubChem CID 3870903) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline
PubChem CID3870903
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H23N3O3S/c16-14-12-13(22(19,20)18-6-2-1-3-7-18)4-5-15(14)17-8-10-21-11-9-17/h4-5,12H,1-3,6-11,16H2
InChIKeySWWOIEPBBNXTQP-UHFFFAOYSA-N
XLogP1.28
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline 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 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline?
The IUPAC name of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline (CID 3870903) is 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline is Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline?
The InChIKey is SWWOIEPBBNXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c16-14-12-13(22(19,20)18-6-2-1-3-7-18)4-5-15(14)17-8-10-21-11-9-17/h4-5,12H,1-3,6-11,16H2.
What are the key properties of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline?
2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline has a molecular weight of 325.43 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 3870903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).