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

C12H22N2O5S — CID 43416039

IUPAC1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)N1CCOCC1)N1CCC(O)CC1
InChIInChI=1S/C12H22N2O5S/c15-11-1-4-13(5-2-11)12(16)3-10-20(17,18)14-6-8-19-9-7-14/h11,15H,1-10H2
InChIKeyVJDYXFCYSFPXRL-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.98
Rot. Bonds4

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

1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one (PubChem CID 43416039) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
PubChem CID43416039
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)N1CCOCC1)N1CCC(O)CC1
InChIInChI=1S/C12H22N2O5S/c15-11-1-4-13(5-2-11)12(16)3-10-20(17,18)14-6-8-19-9-7-14/h11,15H,1-10H2
InChIKeyVJDYXFCYSFPXRL-UHFFFAOYSA-N
XLogP-0.98
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one (CID 43416039) is 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one is O=C(CCS(=O)(=O)N1CCOCC1)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
The InChIKey is VJDYXFCYSFPXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c15-11-1-4-13(5-2-11)12(16)3-10-20(17,18)14-6-8-19-9-7-14/h11,15H,1-10H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one?
1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one has a molecular weight of 306.38 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one is sourced from PubChem (CID 43416039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).