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

C15H23N3O4S — CID 7042964

IUPAC(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
SMILESC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)C[C@H](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/t12-,13+
InChIKeyFSWIUHNGXHCFLH-BETUJISGSA-N
MW341.43 g/mol
LogP0.72
Rot. Bonds3

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

(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine (PubChem CID 7042964) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
PubChem CID7042964
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
SMILESC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)C[C@H](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/t12-,13+
InChIKeyFSWIUHNGXHCFLH-BETUJISGSA-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

Analyze (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine with MolForge

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Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid
CID 87659829
2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 47983366
4-[[6-(2,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133357732
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine (CID 7042964) is (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine is C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine?
The InChIKey is FSWIUHNGXHCFLH-BETUJISGSA-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/t12-,13+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine?
(2S,6R)-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 (2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine is sourced from PubChem (CID 7042964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).