2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine

C11H18N2O3S — CID 115082683

IUPAC2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNCCc1coc(C2CCCS(=O)(=O)C2)n1
InChIInChI=1S/C11H18N2O3S/c1-12-5-4-10-7-16-11(13-10)9-3-2-6-17(14,15)8-9/h7,9,12H,2-6,8H2,1H3
InChIKeyJEOGUTQARZQYOW-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.73
Rot. Bonds4

About 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine

2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine (PubChem CID 115082683) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
PubChem CID115082683
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNCCc1coc(C2CCCS(=O)(=O)C2)n1
InChIInChI=1S/C11H18N2O3S/c1-12-5-4-10-7-16-11(13-10)9-3-2-6-17(14,15)8-9/h7,9,12H,2-6,8H2,1H3
InChIKeyJEOGUTQARZQYOW-UHFFFAOYSA-N
XLogP0.73
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082669
N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082088
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]ethanone
CID 115082603
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082531
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082018
N-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082711
2-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]acetic acid
CID 115045543
N-methyl-2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanamine
CID 115082989
N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248
[2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082131
3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082255
2-(2-cyclopentyl-1,3-oxazol-4-yl)ethanamine
CID 115015683

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine (CID 115082683) is 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine is CNCCc1coc(C2CCCS(=O)(=O)C2)n1.
What is the InChIKey of 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine?
The InChIKey is JEOGUTQARZQYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-12-5-4-10-7-16-11(13-10)9-3-2-6-17(14,15)8-9/h7,9,12H,2-6,8H2,1H3.
What are the key properties of 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine?
2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine has a molecular weight of 258.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115082683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).