2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine

C15H23N3O4S — CID 4779888

IUPAC2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
SMILESCC1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC(C)O1
InChIInChI=1S/C15H23N3O4S/c1-12-10-17(11-13(2)22-12)15-4-3-14(9-16-15)23(19,20)18-5-7-21-8-6-18/h3-4,9,12-13H,5-8,10-11H2,1-2H3
InChIKeyFSWIUHNGXHCFLH-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.72
Rot. Bonds3

About 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine

2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine (PubChem CID 4779888) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
PubChem CID4779888
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
SMILESCC1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC(C)O1
InChIInChI=1S/C15H23N3O4S/c1-12-10-17(11-13(2)22-12)15-4-3-14(9-16-15)23(19,20)18-5-7-21-8-6-18/h3-4,9,12-13H,5-8,10-11H2,1-2H3
InChIKeyFSWIUHNGXHCFLH-UHFFFAOYSA-N
XLogP0.72
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine (CID 4779888) is 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine is CC1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine?
The InChIKey is FSWIUHNGXHCFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12-10-17(11-13(2)22-12)15-4-3-14(9-16-15)23(19,20)18-5-7-21-8-6-18/h3-4,9,12-13H,5-8,10-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine?
2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine has a molecular weight of 341.43 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine is sourced from PubChem (CID 4779888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).