2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine

C6H13NO2S — CID 40535681

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine
SMILESNCC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c7-3-1-6-2-4-10(8,9)5-6/h6H,1-5,7H2/t6-/m0/s1
InChIKeyJYDUHWBQZJDLJP-LURJTMIESA-N
MW163.24 g/mol
LogP-0.23
Rot. Bonds2

About 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine

2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine (PubChem CID 40535681) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine
PubChem CID40535681
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine
SMILESNCC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c7-3-1-6-2-4-10(8,9)5-6/h6H,1-5,7H2/t6-/m0/s1
InChIKeyJYDUHWBQZJDLJP-LURJTMIESA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine (CID 40535681) is 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine is NCC[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine?
The InChIKey is JYDUHWBQZJDLJP-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2S/c7-3-1-6-2-4-10(8,9)5-6/h6H,1-5,7H2/t6-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine?
2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine has a molecular weight of 163.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine is sourced from PubChem (CID 40535681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).