methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

C17H24N2O5S — CID 24980872

IUPACmethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C17H24N2O5S/c1-23-17(20)15-13-14(25(21,22)19-7-3-2-4-8-19)5-6-16(15)18-9-11-24-12-10-18/h5-6,13H,2-4,7-12H2,1H3
InChIKeyHEXQNBJTYYCKEO-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.48
Rot. Bonds4

About methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 24980872) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID24980872
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Namemethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C17H24N2O5S/c1-23-17(20)15-13-14(25(21,22)19-7-3-2-4-8-19)5-6-16(15)18-9-11-24-12-10-18/h5-6,13H,2-4,7-12H2,1H3
InChIKeyHEXQNBJTYYCKEO-UHFFFAOYSA-N
XLogP1.48
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (CID 24980872) is methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is HEXQNBJTYYCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-23-17(20)15-13-14(25(21,22)19-7-3-2-4-8-19)5-6-16(15)18-9-11-24-12-10-18/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 368.46 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 24980872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).