2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid

C9H15NO6S2 — CID 66384334

IUPAC2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid
SMILESCS(=O)(=O)C1CSCCN1C(=O)COCC(=O)O
InChIInChI=1S/C9H15NO6S2/c1-18(14,15)8-6-17-3-2-10(8)7(11)4-16-5-9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKeySCYWJCOMTSJWCC-UHFFFAOYSA-N
MW297.35 g/mol
LogP-0.97
Rot. Bonds5

About 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid

2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid (PubChem CID 66384334) has the molecular formula C9H15NO6S2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid
PubChem CID66384334
Molecular FormulaC9H15NO6S2
Molecular Weight297.35 g/mol
Exact Mass297.03
IUPAC Name2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid
SMILESCS(=O)(=O)C1CSCCN1C(=O)COCC(=O)O
InChIInChI=1S/C9H15NO6S2/c1-18(14,15)8-6-17-3-2-10(8)7(11)4-16-5-9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKeySCYWJCOMTSJWCC-UHFFFAOYSA-N
XLogP-0.97
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
2-(2-aminoethoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 79478289
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
2-[2-[(3-methylsulfonylthiomorpholine-4-carbonyl)amino]ethoxy]acetic acid
CID 79463963
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
4-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66383779
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
5-amino-4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-one
CID 82688884
2-(2-aminophenoxy)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66381773
2-[(3-methylsulfonylthiomorpholine-4-carbonyl)-propan-2-ylamino]acetic acid
CID 66381721
2-[1-(aminomethyl)cyclobutyl]-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 81168313
(4R)-1-[(3R)-3-methylsulfonylthiomorpholin-4-yl]-4-phenylpentan-1-one
CID 129380735

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid (CID 66384334) is 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid is CS(=O)(=O)C1CSCCN1C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid?
The InChIKey is SCYWJCOMTSJWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S2/c1-18(14,15)8-6-17-3-2-10(8)7(11)4-16-5-9(12)13/h8H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid?
2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid has a molecular weight of 297.35 g/mol, XLogP of -0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 66384334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).