(1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate

C13H14N2O6S — CID 91440635

IUPAC(1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate
SMILESNC(=O)C1(OS(=O)(=O)N2CCOC2=O)CC1c1ccccc1
InChIInChI=1S/C13H14N2O6S/c14-11(16)13(8-10(13)9-4-2-1-3-5-9)21-22(18,19)15-6-7-20-12(15)17/h1-5,10H,6-8H2,(H2,14,16)
InChIKeyDWSNFHRIWVYJSJ-UHFFFAOYSA-N
MW326.33 g/mol
LogP0.11
Rot. Bonds5

About (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate

(1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate (PubChem CID 91440635) has the molecular formula C13H14N2O6S and a molecular weight of 326.33 g/mol. Its IUPAC name is (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate.

Molecular Properties

Compound Name(1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate
PubChem CID91440635
Molecular FormulaC13H14N2O6S
Molecular Weight326.33 g/mol
Exact Mass326.06
IUPAC Name(1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate
SMILESNC(=O)C1(OS(=O)(=O)N2CCOC2=O)CC1c1ccccc1
InChIInChI=1S/C13H14N2O6S/c14-11(16)13(8-10(13)9-4-2-1-3-5-9)21-22(18,19)15-6-7-20-12(15)17/h1-5,10H,6-8H2,(H2,14,16)
InChIKeyDWSNFHRIWVYJSJ-UHFFFAOYSA-N
XLogP0.11
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate?
The IUPAC name of (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate (CID 91440635) is (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate.
What is the SMILES notation for (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate?
The canonical SMILES for (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate is NC(=O)C1(OS(=O)(=O)N2CCOC2=O)CC1c1ccccc1.
What is the InChIKey of (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate?
The InChIKey is DWSNFHRIWVYJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6S/c14-11(16)13(8-10(13)9-4-2-1-3-5-9)21-22(18,19)15-6-7-20-12(15)17/h1-5,10H,6-8H2,(H2,14,16).
What are the key properties of (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate?
(1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate has a molecular weight of 326.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-2-phenylcyclopropyl) 2-oxo-1,3-oxazolidine-3-sulfonate is sourced from PubChem (CID 91440635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).