6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one

C10H18N2O4S — CID 117010986

IUPAC6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one
SMILESNCCC1CCN(C2CCS(=O)(=O)C2)C(=O)O1
InChIInChI=1S/C10H18N2O4S/c11-4-1-9-2-5-12(10(13)16-9)8-3-6-17(14,15)7-8/h8-9H,1-7,11H2
InChIKeyGOJHGZGAKRLAKT-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.27
Rot. Bonds3

About 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one

6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one (PubChem CID 117010986) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one
PubChem CID117010986
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one
SMILESNCCC1CCN(C2CCS(=O)(=O)C2)C(=O)O1
InChIInChI=1S/C10H18N2O4S/c11-4-1-9-2-5-12(10(13)16-9)8-3-6-17(14,15)7-8/h8-9H,1-7,11H2
InChIKeyGOJHGZGAKRLAKT-UHFFFAOYSA-N
XLogP-0.27
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one with MolForge

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Related Compounds

3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011098
1-(1,1-dioxothiolan-3-yl)-4-methylpiperazine-2,3-dione
CID 117026380
3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011111
2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
CID 117011037
4-(2-aminoethyl)-5-tert-butyl-2-(1,1-dioxothiolan-3-yl)-4H-pyrazol-3-one
CID 63973204
1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one
CID 117013989
6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one
CID 117011006
(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one
CID 115056615
6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one
CID 117274614
1-(1,1-dioxothiolan-3-yl)pyrrolidine-2,4-dione
CID 79517072
(5S)-5-(aminomethyl)-3-(1-methylpiperidin-3-yl)-1,3-oxazolidin-2-one
CID 115056639
[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504636

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one (CID 117010986) is 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one is NCCC1CCN(C2CCS(=O)(=O)C2)C(=O)O1.
What is the InChIKey of 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one?
The InChIKey is GOJHGZGAKRLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c11-4-1-9-2-5-12(10(13)16-9)8-3-6-17(14,15)7-8/h8-9H,1-7,11H2.
What are the key properties of 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one?
6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one has a molecular weight of 262.33 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117010986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).