1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one

C19H28N2O4S — CID 110624395

IUPAC1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
SMILESCC1CN(S(=O)(=O)c2ccc(CCN3CCCC3=O)cc2)C(C)(C)CO1
InChIInChI=1S/C19H28N2O4S/c1-15-13-21(19(2,3)14-25-15)26(23,24)17-8-6-16(7-9-17)10-12-20-11-4-5-18(20)22/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyLANUBNRQOWYNEY-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one

1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one (PubChem CID 110624395) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
PubChem CID110624395
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
SMILESCC1CN(S(=O)(=O)c2ccc(CCN3CCCC3=O)cc2)C(C)(C)CO1
InChIInChI=1S/C19H28N2O4S/c1-15-13-21(19(2,3)14-25-15)26(23,24)17-8-6-16(7-9-17)10-12-20-11-4-5-18(20)22/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyLANUBNRQOWYNEY-UHFFFAOYSA-N
XLogP2.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
CID 110421749
3-(2,5,5-trimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 110421938
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179
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-(4,4-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
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771
N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110610137
4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327570
N-(6-methoxy-3-pyridinyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110620781

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one (CID 110624395) is 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one is CC1CN(S(=O)(=O)c2ccc(CCN3CCCC3=O)cc2)C(C)(C)CO1.
What is the InChIKey of 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one?
The InChIKey is LANUBNRQOWYNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-15-13-21(19(2,3)14-25-15)26(23,24)17-8-6-16(7-9-17)10-12-20-11-4-5-18(20)22/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one?
1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one has a molecular weight of 380.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 110624395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).