methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate

C13H23NO5S — CID 103342782

IUPACmethyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCOCC1(C)C
InChIInChI=1S/C13H23NO5S/c1-13(2)9-19-8-7-14(13)20(16,17)11-6-4-5-10(11)12(15)18-3/h10-11H,4-9H2,1-3H3
InChIKeyRDYOGMLRIIJRPR-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.77
Rot. Bonds3

About methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate

methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate (PubChem CID 103342782) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
PubChem CID103342782
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Namemethyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N1CCOCC1(C)C
InChIInChI=1S/C13H23NO5S/c1-13(2)9-19-8-7-14(13)20(16,17)11-6-4-5-10(11)12(15)18-3/h10-11H,4-9H2,1-3H3
InChIKeyRDYOGMLRIIJRPR-UHFFFAOYSA-N
XLogP0.77
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-hydroxy-3-methylazetidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 107215602
methyl 2-(2-morpholin-4-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342202
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343407
methyl 2-(2-cyanomorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
CID 103343209
methyl 2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 103342459
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391
methyl 2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylate
CID 106835677
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylcyclohexane-1-carboxylate;hydrochloride
CID 120876999
methyl 2-(3-aminopyrrolidin-1-yl)sulfonylcyclohexane-1-carboxylate
CID 120874816
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate (CID 103342782) is methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N1CCOCC1(C)C.
What is the InChIKey of methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate?
The InChIKey is RDYOGMLRIIJRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-13(2)9-19-8-7-14(13)20(16,17)11-6-4-5-10(11)12(15)18-3/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate?
methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 103342782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).