(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone

C17H24N2O5S — CID 110353758

IUPAC(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCC1(C)COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24N2O5S/c1-17(2)13-24-11-8-19(17)16(20)14-4-3-5-15(12-14)25(21,22)18-6-9-23-10-7-18/h3-5,12H,6-11,13H2,1-2H3
InChIKeyWDJLYXDOVWPOLW-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.96
Rot. Bonds3

About (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone

(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 110353758) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID110353758
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCC1(C)COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24N2O5S/c1-17(2)13-24-11-8-19(17)16(20)14-4-3-5-15(12-14)25(21,22)18-6-9-23-10-7-18/h3-5,12H,6-11,13H2,1-2H3
InChIKeyWDJLYXDOVWPOLW-UHFFFAOYSA-N
XLogP0.96
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 120814606
(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 119472047
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
3-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76906957
4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 43004414
(2,6-dimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2679308
2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110353774
[3-(1,4-oxazepan-4-ylsulfonyl)phenyl]-thiomorpholin-4-ylmethanone
CID 72916871

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone (CID 110353758) is (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone is CC1(C)COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is WDJLYXDOVWPOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-17(2)13-24-11-8-19(17)16(20)14-4-3-5-15(12-14)25(21,22)18-6-9-23-10-7-18/h3-5,12H,6-11,13H2,1-2H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 368.46 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 110353758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).