2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride

C3H6ClNO5S — CID 174886365

IUPAC2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride
SMILESCl.O=C1OCCN1S(=O)(=O)O
InChIInChI=1S/C3H5NO5S.ClH/c5-3-4(1-2-9-3)10(6,7)8;/h1-2H2,(H,6,7,8);1H
InChIKeyKUNOJTQGSQQCDF-UHFFFAOYSA-N
MW203.60 g/mol
LogP-0.34
Rot. Bonds1

About 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride

2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride (PubChem CID 174886365) has the molecular formula C3H6ClNO5S and a molecular weight of 203.60 g/mol. Its IUPAC name is 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride
PubChem CID174886365
Molecular FormulaC3H6ClNO5S
Molecular Weight203.60 g/mol
Exact Mass202.97
IUPAC Name2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride
SMILESCl.O=C1OCCN1S(=O)(=O)O
InChIInChI=1S/C3H5NO5S.ClH/c5-3-4(1-2-9-3)10(6,7)8;/h1-2H2,(H,6,7,8);1H
InChIKeyKUNOJTQGSQQCDF-UHFFFAOYSA-N
XLogP-0.34
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-oxo-1,3-oxazolidine-3-sulfonyl fluoride
CID 130225489
N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide
CID 87722828
N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
CID 57355564
3-[[(3,4-dichlorophenyl)methylamino]-hydroxy-phosphanyl-λ4-sulfanyl]-1,3-oxazolidin-2-one
CID 90967541
tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate
CID 130470232
CID 88533496
CID 88533496
methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate
CID 14988081
3-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 141105157
(1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate
CID 91440635
3-(2-iodoethyl)-1,3-oxazolidin-2-one
CID 575068
ethyl 2-[6-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-2-pyridinyl]acetate
CID 71210055
oxo-bis(2-oxo-1,3-oxazolidin-3-yl)phosphanium
CID 10987777

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride?
The IUPAC name of 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride (CID 174886365) is 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride.
What is the SMILES notation for 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride?
The canonical SMILES for 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride is Cl.O=C1OCCN1S(=O)(=O)O.
What is the InChIKey of 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride?
The InChIKey is KUNOJTQGSQQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO5S.ClH/c5-3-4(1-2-9-3)10(6,7)8;/h1-2H2,(H,6,7,8);1H.
What are the key properties of 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride?
2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride has a molecular weight of 203.60 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride is sourced from PubChem (CID 174886365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).