4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine

C13H19N3O3S — CID 5268063

IUPAC4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCCC2)nc1)N1CCOCC1
InChIInChI=1S/C13H19N3O3S/c17-20(18,16-7-9-19-10-8-16)12-3-4-13(14-11-12)15-5-1-2-6-15/h3-4,11H,1-2,5-10H2
InChIKeyABPDGUUZQIMBJE-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.70
Rot. Bonds3

About 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine

4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine (PubChem CID 5268063) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
PubChem CID5268063
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCCC2)nc1)N1CCOCC1
InChIInChI=1S/C13H19N3O3S/c17-20(18,16-7-9-19-10-8-16)12-3-4-13(14-11-12)15-5-1-2-6-15/h3-4,11H,1-2,5-10H2
InChIKeyABPDGUUZQIMBJE-UHFFFAOYSA-N
XLogP0.70
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine?
The IUPAC name of 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine (CID 5268063) is 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine?
The canonical SMILES for 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine is O=S(=O)(c1ccc(N2CCCC2)nc1)N1CCOCC1.
What is the InChIKey of 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine?
The InChIKey is ABPDGUUZQIMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-20(18,16-7-9-19-10-8-16)12-3-4-13(14-11-12)15-5-1-2-6-15/h3-4,11H,1-2,5-10H2.
What are the key properties of 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine?
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine has a molecular weight of 297.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine is sourced from PubChem (CID 5268063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).