2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid

C10H19NO5S — CID 66434056

IUPAC2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
SMILESCS(=O)(=O)CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-17(14,15)6-2-3-11-4-5-16-9(8-11)7-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyBMXLNDYTZLWURF-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.40
Rot. Bonds6

About 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid

2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid (PubChem CID 66434056) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
PubChem CID66434056
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
SMILESCS(=O)(=O)CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-17(14,15)6-2-3-11-4-5-16-9(8-11)7-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyBMXLNDYTZLWURF-UHFFFAOYSA-N
XLogP-0.40
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
CID 66434649
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
2-(2-ethylmorpholin-4-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 62561719
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid (CID 66434056) is 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid is CS(=O)(=O)CCCN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid?
The InChIKey is BMXLNDYTZLWURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-17(14,15)6-2-3-11-4-5-16-9(8-11)7-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid?
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid has a molecular weight of 265.33 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).