(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one

C13H16N2O5S2 — CID 7569970

IUPAC(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@H]1Sc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C13H16N2O5S2/c16-13-11(3-6-20-13)21-12-2-1-10(9-14-12)22(17,18)15-4-7-19-8-5-15/h1-2,9,11H,3-8H2/t11-/m1/s1
InChIKeyRJOJHYFRSVOPNY-LLVKDONJSA-N
MW344.41 g/mol
LogP0.51
Rot. Bonds4

About (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one

(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one (PubChem CID 7569970) has the molecular formula C13H16N2O5S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one
PubChem CID7569970
Molecular FormulaC13H16N2O5S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC Name(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@H]1Sc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C13H16N2O5S2/c16-13-11(3-6-20-13)21-12-2-1-10(9-14-12)22(17,18)15-4-7-19-8-5-15/h1-2,9,11H,3-8H2/t11-/m1/s1
InChIKeyRJOJHYFRSVOPNY-LLVKDONJSA-N
XLogP0.51
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one with MolForge

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Related Compounds

N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide
CID 30123859
(3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one
CID 41094226
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-1-naphthalen-2-ylethanone
CID 38974013
4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 7774902
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
1-(2-methylmorpholin-4-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 24578006
ethyl (2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanoate
CID 52511353
2-(oxan-2-ylmethylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine
CID 42928894
1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7561679

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one (CID 7569970) is (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one is O=C1OCC[C@H]1Sc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one?
The InChIKey is RJOJHYFRSVOPNY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O5S2/c16-13-11(3-6-20-13)21-12-2-1-10(9-14-12)22(17,18)15-4-7-19-8-5-15/h1-2,9,11H,3-8H2/t11-/m1/s1.
What are the key properties of (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one?
(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one has a molecular weight of 344.41 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 7569970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).