2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid

C9H17NO5S2 — CID 66382213

IUPAC2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid
SMILESCC(O)(CN1CCSCC1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C9H17NO5S2/c1-9(13,8(11)12)6-10-3-4-16-5-7(10)17(2,14)15/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyGXDJBWBKORLPDA-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.76
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid

2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid (PubChem CID 66382213) has the molecular formula C9H17NO5S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid
PubChem CID66382213
Molecular FormulaC9H17NO5S2
Molecular Weight283.37 g/mol
Exact Mass283.05
IUPAC Name2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid
SMILESCC(O)(CN1CCSCC1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C9H17NO5S2/c1-9(13,8(11)12)6-10-3-4-16-5-7(10)17(2,14)15/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyGXDJBWBKORLPDA-UHFFFAOYSA-N
XLogP-0.76
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol
CID 66383197
2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol
CID 66381855
4-(2-methyl-2-piperazin-1-ylpropyl)-3-methylsulfonylthiomorpholine
CID 80550159
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
CID 66384183
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
3,3-dimethyl-4-(3-methylsulfonylthiomorpholin-4-yl)-N-propylbutan-2-amine
CID 66454113
3-methyl-5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 66384335
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoate
CID 66384715
2-[2-(3-methylsulfonylthiomorpholin-4-yl)-2-oxoethoxy]acetic acid
CID 66384334
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid (CID 66382213) is 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid is CC(O)(CN1CCSCC1S(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid?
The InChIKey is GXDJBWBKORLPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S2/c1-9(13,8(11)12)6-10-3-4-16-5-7(10)17(2,14)15/h7,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid?
2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid has a molecular weight of 283.37 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid is sourced from PubChem (CID 66382213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).