2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid

C12H21NO5S — CID 103342422

IUPAC2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCC1CN(S(=O)(=O)C2CCCC2C(=O)O)C(C)CO1
InChIInChI=1S/C12H21NO5S/c1-8-7-18-9(2)6-13(8)19(16,17)11-5-3-4-10(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyLEQOCKARGJXWHI-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.68
Rot. Bonds3

About 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid

2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103342422) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID103342422
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCC1CN(S(=O)(=O)C2CCCC2C(=O)O)C(C)CO1
InChIInChI=1S/C12H21NO5S/c1-8-7-18-9(2)6-13(8)19(16,17)11-5-3-4-10(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyLEQOCKARGJXWHI-UHFFFAOYSA-N
XLogP0.68
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
2-(2,5-dimethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
CID 63069495
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343407
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342466
4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
2-(2,5-dimethylmorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997136
2-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)sulfonyl]cyclopentane-1-carboxylic acid
CID 103343577
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid (CID 103342422) is 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid is CC1CN(S(=O)(=O)C2CCCC2C(=O)O)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is LEQOCKARGJXWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-8-7-18-9(2)6-13(8)19(16,17)11-5-3-4-10(11)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid?
2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).