3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine

C13H17N3O5S — CID 100707479

IUPAC3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine
SMILESCN(C)S(=O)(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C13H17N3O5S/c1-15(2)22(19,20)14-11(10-6-4-3-5-7-10)8-16-12(17)9-21-13(16)18/h3-7,11,14H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyPEZMNYJPJUQYFR-NSHDSACASA-N
MW327.36 g/mol
LogP0.10
Rot. Bonds6

About 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine

3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine (PubChem CID 100707479) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine
PubChem CID100707479
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine
SMILESCN(C)S(=O)(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C13H17N3O5S/c1-15(2)22(19,20)14-11(10-6-4-3-5-7-10)8-16-12(17)9-21-13(16)18/h3-7,11,14H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyPEZMNYJPJUQYFR-NSHDSACASA-N
XLogP0.10
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine?
The IUPAC name of 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine (CID 100707479) is 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine.
What is the SMILES notation for 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine?
The canonical SMILES for 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine is CN(C)S(=O)(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1.
What is the InChIKey of 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine?
The InChIKey is PEZMNYJPJUQYFR-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-15(2)22(19,20)14-11(10-6-4-3-5-7-10)8-16-12(17)9-21-13(16)18/h3-7,11,14H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine?
3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine has a molecular weight of 327.36 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine is sourced from PubChem (CID 100707479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).