4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol

C6H13NO4S — CID 106939734

IUPAC4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol
SMILESNCCOC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H13NO4S/c7-1-2-11-6-4-12(9,10)3-5(6)8/h5-6,8H,1-4,7H2
InChIKeyCMPBKUBWDADXKF-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.88
Rot. Bonds3

About 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol

4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol (PubChem CID 106939734) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol
PubChem CID106939734
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol
SMILESNCCOC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H13NO4S/c7-1-2-11-6-4-12(9,10)3-5(6)8/h5-6,8H,1-4,7H2
InChIKeyCMPBKUBWDADXKF-UHFFFAOYSA-N
XLogP-1.88
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol (CID 106939734) is 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol is NCCOC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol?
The InChIKey is CMPBKUBWDADXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c7-1-2-11-6-4-12(9,10)3-5(6)8/h5-6,8H,1-4,7H2.
What are the key properties of 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol?
4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol has a molecular weight of 195.24 g/mol, XLogP of -1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 106939734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).