6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one

C11H14N2O5S — CID 55067799

IUPAC6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESNc1ccc2c(c1)S(=O)(=O)N(CCOCCO)C2=O
InChIInChI=1S/C11H14N2O5S/c12-8-1-2-9-10(7-8)19(16,17)13(11(9)15)3-5-18-6-4-14/h1-2,7,14H,3-6,12H2
InChIKeyFNNUWBCMVGOUDB-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.58
Rot. Bonds5

About 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one

6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 55067799) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID55067799
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESNc1ccc2c(c1)S(=O)(=O)N(CCOCCO)C2=O
InChIInChI=1S/C11H14N2O5S/c12-8-1-2-9-10(7-8)19(16,17)13(11(9)15)3-5-18-6-4-14/h1-2,7,14H,3-6,12H2
InChIKeyFNNUWBCMVGOUDB-UHFFFAOYSA-N
XLogP-0.58
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CID 55067799) is 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one is Nc1ccc2c(c1)S(=O)(=O)N(CCOCCO)C2=O.
What is the InChIKey of 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is FNNUWBCMVGOUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-8-1-2-9-10(7-8)19(16,17)13(11(9)15)3-5-18-6-4-14/h1-2,7,14H,3-6,12H2.
What are the key properties of 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 286.31 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(2-hydroxyethoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 55067799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).