(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile

C13H16N2O4S — CID 9332211

IUPAC(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile
SMILESC[C@H](C#N)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H16N2O4S/c1-11(10-14)19-12-2-4-13(5-3-12)20(16,17)15-6-8-18-9-7-15/h2-5,11H,6-9H2,1H3/t11-/m1/s1
InChIKeySJZNIDINFIFNNN-LLVKDONJSA-N
MW296.35 g/mol
LogP1.00
Rot. Bonds4

About (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile

(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile (PubChem CID 9332211) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile
PubChem CID9332211
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile
SMILESC[C@H](C#N)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H16N2O4S/c1-11(10-14)19-12-2-4-13(5-3-12)20(16,17)15-6-8-18-9-7-15/h2-5,11H,6-9H2,1H3/t11-/m1/s1
InChIKeySJZNIDINFIFNNN-LLVKDONJSA-N
XLogP1.00
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612928
(2S)-N-carbamoyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332160
(2S)-N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 41094222
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
[(1R)-1-cyanoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2508494
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile?
The IUPAC name of (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile (CID 9332211) is (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile.
What is the SMILES notation for (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile?
The canonical SMILES for (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile is C[C@H](C#N)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile?
The InChIKey is SJZNIDINFIFNNN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-11(10-14)19-12-2-4-13(5-3-12)20(16,17)15-6-8-18-9-7-15/h2-5,11H,6-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile?
(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile has a molecular weight of 296.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile is sourced from PubChem (CID 9332211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).