2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine

C11H18N2O3S — CID 115048259

IUPAC2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC1(c2cnc(CCN)o2)CCCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O3S/c1-11(4-2-6-17(14,15)8-11)9-7-13-10(16-9)3-5-12/h7H,2-6,8,12H2,1H3
InChIKeyFMDIVVXGOZUKHR-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.64
Rot. Bonds3

About 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine

2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 115048259) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID115048259
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC1(c2cnc(CCN)o2)CCCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O3S/c1-11(4-2-6-17(14,15)8-11)9-7-13-10(16-9)3-5-12/h7H,2-6,8,12H2,1H3
InChIKeyFMDIVVXGOZUKHR-UHFFFAOYSA-N
XLogP0.64
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 115048259) is 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine is CC1(c2cnc(CCN)o2)CCCS(=O)(=O)C1.
What is the InChIKey of 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is FMDIVVXGOZUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(4-2-6-17(14,15)8-11)9-7-13-10(16-9)3-5-12/h7H,2-6,8,12H2,1H3.
What are the key properties of 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 258.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115048259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).