2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine

C10H21NO3S — CID 65051233

IUPAC2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OC1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-3-10(4-2,8-11)14-9-5-6-15(12,13)7-9/h9H,3-8,11H2,1-2H3
InChIKeyVUVGPGRXXJSFLQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine

2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine (PubChem CID 65051233) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine
PubChem CID65051233
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OC1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-3-10(4-2,8-11)14-9-5-6-15(12,13)7-9/h9H,3-8,11H2,1-2H3
InChIKeyVUVGPGRXXJSFLQ-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine (CID 65051233) is 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine is CCC(CC)(CN)OC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine?
The InChIKey is VUVGPGRXXJSFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-10(4-2,8-11)14-9-5-6-15(12,13)7-9/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine?
2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine is sourced from PubChem (CID 65051233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).