[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C17H24N2O4S — CID 2330606

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H24N2O4S/c1-13-11-18(12-14(2)23-13)17(20)15-5-7-16(8-6-15)24(21,22)19-9-3-4-10-19/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyARJYCHNFBBUCJM-ZIAGYGMSSA-N
MW352.46 g/mol
LogP1.72
Rot. Bonds3

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 2330606) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID2330606
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H24N2O4S/c1-13-11-18(12-14(2)23-13)17(20)15-5-7-16(8-6-15)24(21,22)19-9-3-4-10-19/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyARJYCHNFBBUCJM-ZIAGYGMSSA-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-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 52535688
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330456
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 55623150

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 2330606) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H](C)O1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is ARJYCHNFBBUCJM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-11-18(12-14(2)23-13)17(20)15-5-7-16(8-6-15)24(21,22)19-9-3-4-10-19/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
[(2R,6R)-2,6-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 [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 2330606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).