[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine

C6H10N2O3S — CID 65178842

IUPAC[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine
SMILESCS(=O)(=O)Cc1cnc(CN)o1
InChIInChI=1S/C6H10N2O3S/c1-12(9,10)4-5-3-8-6(2-7)11-5/h3H,2,4,7H2,1H3
InChIKeyRGRXCGLLGRHGRT-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.32
Rot. Bonds3

About [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine

[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65178842) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65178842
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine
SMILESCS(=O)(=O)Cc1cnc(CN)o1
InChIInChI=1S/C6H10N2O3S/c1-12(9,10)4-5-3-8-6(2-7)11-5/h3H,2,4,7H2,1H3
InChIKeyRGRXCGLLGRHGRT-UHFFFAOYSA-N
XLogP-0.32
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine (CID 65178842) is [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine is CS(=O)(=O)Cc1cnc(CN)o1.
What is the InChIKey of [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is RGRXCGLLGRHGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-12(9,10)4-5-3-8-6(2-7)11-5/h3H,2,4,7H2,1H3.
What are the key properties of [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine?
[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 190.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65178842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).