1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one

C11H20N2O5S — CID 62918616

IUPAC1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)N1CCOCC1)N1CCC(O)C1
InChIInChI=1S/C11H20N2O5S/c14-10-1-3-12(9-10)11(15)2-8-19(16,17)13-4-6-18-7-5-13/h10,14H,1-9H2
InChIKeyKGYXPWKOHOFOBT-UHFFFAOYSA-N
MW292.36 g/mol
LogP-1.37
Rot. Bonds4

About 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one

1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one (PubChem CID 62918616) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
PubChem CID62918616
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)N1CCOCC1)N1CCC(O)C1
InChIInChI=1S/C11H20N2O5S/c14-10-1-3-12(9-10)11(15)2-8-19(16,17)13-4-6-18-7-5-13/h10,14H,1-9H2
InChIKeyKGYXPWKOHOFOBT-UHFFFAOYSA-N
XLogP-1.37
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one (CID 62918616) is 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one is O=C(CCS(=O)(=O)N1CCOCC1)N1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The InChIKey is KGYXPWKOHOFOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c14-10-1-3-12(9-10)11(15)2-8-19(16,17)13-4-6-18-7-5-13/h10,14H,1-9H2.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one has a molecular weight of 292.36 g/mol, XLogP of -1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one is sourced from PubChem (CID 62918616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).