1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one

C18H26N2O4S — CID 110421749

IUPAC1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
SMILESCC1(C)COCCN1S(=O)(=O)c1ccc(CCN2CCCC2=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-18(2)14-24-13-12-20(18)25(22,23)16-7-5-15(6-8-16)9-11-19-10-3-4-17(19)21/h5-8H,3-4,9-14H2,1-2H3
InChIKeyPYNCOZROQAIQPI-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.65
Rot. Bonds5

About 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one

1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one (PubChem CID 110421749) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
PubChem CID110421749
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
SMILESCC1(C)COCCN1S(=O)(=O)c1ccc(CCN2CCCC2=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-18(2)14-24-13-12-20(18)25(22,23)16-7-5-15(6-8-16)9-11-19-10-3-4-17(19)21/h5-8H,3-4,9-14H2,1-2H3
InChIKeyPYNCOZROQAIQPI-UHFFFAOYSA-N
XLogP1.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
CID 110624395
1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione
CID 112507427
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110428842
1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
CID 10584340
1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 70071583
N-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352549
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179
N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110611274
N-(3-chloro-4-methylphenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110421017
[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090677
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one (CID 110421749) is 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one is CC1(C)COCCN1S(=O)(=O)c1ccc(CCN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one?
The InChIKey is PYNCOZROQAIQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-18(2)14-24-13-12-20(18)25(22,23)16-7-5-15(6-8-16)9-11-19-10-3-4-17(19)21/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one?
1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one has a molecular weight of 366.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 110421749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).