6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one

C10H12N2O4S — CID 62389705

IUPAC6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCOCCN1C(=O)c2ccc(N)cc2S1(=O)=O
InChIInChI=1S/C10H12N2O4S/c1-16-5-4-12-10(13)8-3-2-7(11)6-9(8)17(12,14)15/h2-3,6H,4-5,11H2,1H3
InChIKeyMHCMWVJJKBILBE-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.06
Rot. Bonds3

About 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one

6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 62389705) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID62389705
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCOCCN1C(=O)c2ccc(N)cc2S1(=O)=O
InChIInChI=1S/C10H12N2O4S/c1-16-5-4-12-10(13)8-3-2-7(11)6-9(8)17(12,14)15/h2-3,6H,4-5,11H2,1H3
InChIKeyMHCMWVJJKBILBE-UHFFFAOYSA-N
XLogP0.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 76314186
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CID 76325047
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CID 76335939
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CID 76335940

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one (CID 62389705) is 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one is COCCN1C(=O)c2ccc(N)cc2S1(=O)=O.
What is the InChIKey of 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is MHCMWVJJKBILBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-16-5-4-12-10(13)8-3-2-7(11)6-9(8)17(12,14)15/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 256.28 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 62389705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).