(3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C17H24N2O4S — CID 110292329

IUPAC(3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCC1COCC(C)N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-13-11-23-12-14(2)19(13)17(20)15-5-7-16(8-6-15)24(21,22)18-9-3-4-10-18/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyXPHLLSWLTSRZHR-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.72
Rot. Bonds3

About (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

(3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 110292329) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID110292329
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCC1COCC(C)N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-13-11-23-12-14(2)19(13)17(20)15-5-7-16(8-6-15)24(21,22)18-9-3-4-10-18/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyXPHLLSWLTSRZHR-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90591104
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90591106
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292311
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90585194
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 110292329) is (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is CC1COCC(C)N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is XPHLLSWLTSRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-11-23-12-14(2)19(13)17(20)15-5-7-16(8-6-15)24(21,22)18-9-3-4-10-18/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
(3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 352.46 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 110292329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).