4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one

C5H10N2O2S — CID 504008

IUPAC4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one
SMILESCSCN1OCC(N)C1=O
InChIInChI=1S/C5H10N2O2S/c1-10-3-7-5(8)4(6)2-9-7/h4H,2-3,6H2,1H3
InChIKeyBXZYFXTUIFGQTN-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.59
Rot. Bonds2

About 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one

4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one (PubChem CID 504008) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one
PubChem CID504008
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one
SMILESCSCN1OCC(N)C1=O
InChIInChI=1S/C5H10N2O2S/c1-10-3-7-5(8)4(6)2-9-7/h4H,2-3,6H2,1H3
InChIKeyBXZYFXTUIFGQTN-UHFFFAOYSA-N
XLogP-0.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one?
The IUPAC name of 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one (CID 504008) is 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one is CSCN1OCC(N)C1=O.
What is the InChIKey of 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one?
The InChIKey is BXZYFXTUIFGQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-10-3-7-5(8)4(6)2-9-7/h4H,2-3,6H2,1H3.
What are the key properties of 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one?
4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one has a molecular weight of 162.21 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylsulfanylmethyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 504008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).