[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone

C17H24N2O4S — CID 2326492

IUPAC[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C17H24N2O4S/c1-13-11-19(12-14(2)23-13)24(21,22)16-7-5-15(6-8-16)17(20)18-9-3-4-10-18/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyYOEAZRJJDPUDPP-KBPBESRZSA-N
MW352.46 g/mol
LogP1.72
Rot. Bonds3

About [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone

[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 2326492) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
PubChem CID2326492
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C17H24N2O4S/c1-13-11-19(12-14(2)23-13)24(21,22)16-7-5-15(6-8-16)17(20)18-9-3-4-10-18/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyYOEAZRJJDPUDPP-KBPBESRZSA-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

[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330456
[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850014
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 23605249
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride
CID 119469450
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
1-[4-[4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 97289180

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone (CID 2326492) is [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone is C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)C[C@H](C)O1.
What is the InChIKey of [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YOEAZRJJDPUDPP-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-11-19(12-14(2)23-13)24(21,22)16-7-5-15(6-8-16)17(20)18-9-3-4-10-18/h5-8,13-14H,3-4,9-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone?
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone 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 [4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2326492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).