3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one

C17H24N2O4S — CID 2374147

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O4S/c20-17(18-9-1-2-10-18)8-5-15-3-6-16(7-4-15)24(21,22)19-11-13-23-14-12-19/h3-4,6-7H,1-2,5,8-14H2
InChIKeyNIUPBCWMUBSHTM-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.26
Rot. Bonds5

About 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one

3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 2374147) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID2374147
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O4S/c20-17(18-9-1-2-10-18)8-5-15-3-6-16(7-4-15)24(21,22)19-11-13-23-14-12-19/h3-4,6-7H,1-2,5,8-14H2
InChIKeyNIUPBCWMUBSHTM-UHFFFAOYSA-N
XLogP1.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 2374147) is 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NIUPBCWMUBSHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(18-9-1-2-10-18)8-5-15-3-6-16(7-4-15)24(21,22)19-11-13-23-14-12-19/h3-4,6-7H,1-2,5,8-14H2.
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 352.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 2374147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).