2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid

C6H9NO6S — CID 28774340

IUPAC2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C6H9NO6S/c8-5(9)3-14(11,12)7-4-1-2-13-6(4)10/h4,7H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKeyZRFUKXPKCNPLMY-BYPYZUCNSA-N
MW223.21 g/mol
LogP-1.69
Rot. Bonds4

About 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid

2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid (PubChem CID 28774340) has the molecular formula C6H9NO6S and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid
PubChem CID28774340
Molecular FormulaC6H9NO6S
Molecular Weight223.21 g/mol
Exact Mass223.02
IUPAC Name2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C6H9NO6S/c8-5(9)3-14(11,12)7-4-1-2-13-6(4)10/h4,7H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKeyZRFUKXPKCNPLMY-BYPYZUCNSA-N
XLogP-1.69
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid (CID 28774340) is 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid?
The InChIKey is ZRFUKXPKCNPLMY-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO6S/c8-5(9)3-14(11,12)7-4-1-2-13-6(4)10/h4,7H,1-3H2,(H,8,9)/t4-/m0/s1.
What are the key properties of 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid?
2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid has a molecular weight of 223.21 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]acetic acid is sourced from PubChem (CID 28774340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).