4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine

C16H24N2O3S — CID 97143928

IUPAC4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine
SMILESCC1(C)CN(S(=O)(=O)N2CCOCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-16(2)13-18(12-15(16)14-6-4-3-5-7-14)22(19,20)17-8-10-21-11-9-17/h3-7,15H,8-13H2,1-2H3/t15-/m0/s1
InChIKeyRWLYRCFUFPHRRG-HNNXBMFYSA-N
MW324.45 g/mol
LogP1.69
Rot. Bonds3

About 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine

4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 97143928) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine
PubChem CID97143928
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine
SMILESCC1(C)CN(S(=O)(=O)N2CCOCC2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-16(2)13-18(12-15(16)14-6-4-3-5-7-14)22(19,20)17-8-10-21-11-9-17/h3-7,15H,8-13H2,1-2H3/t15-/m0/s1
InChIKeyRWLYRCFUFPHRRG-HNNXBMFYSA-N
XLogP1.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715
5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole
CID 126447347
4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 121496507
5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole
CID 121499650
(3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160637
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124820093
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
CID 95710485
1-methyl-3-(1-morpholin-4-ylsulfonylpiperidin-4-yl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 119103189
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703
3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 166209244

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine (CID 97143928) is 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine is CC1(C)CN(S(=O)(=O)N2CCOCC2)C[C@H]1c1ccccc1.
What is the InChIKey of 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is RWLYRCFUFPHRRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2)13-18(12-15(16)14-6-4-3-5-7-14)22(19,20)17-8-10-21-11-9-17/h3-7,15H,8-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine?
4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 324.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 97143928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).