2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol

C10H15NO5S — CID 117037392

IUPAC2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol
SMILESCOc1ccc(S(=O)(=O)C(O)CN)cc1OC
InChIInChI=1S/C10H15NO5S/c1-15-8-4-3-7(5-9(8)16-2)17(13,14)10(12)6-11/h3-5,10,12H,6,11H2,1-2H3
InChIKeyOTWCBDKDKVDFDT-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.25
Rot. Bonds5

About 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol

2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol (PubChem CID 117037392) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol
PubChem CID117037392
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol
SMILESCOc1ccc(S(=O)(=O)C(O)CN)cc1OC
InChIInChI=1S/C10H15NO5S/c1-15-8-4-3-7(5-9(8)16-2)17(13,14)10(12)6-11/h3-5,10,12H,6,11H2,1-2H3
InChIKeyOTWCBDKDKVDFDT-UHFFFAOYSA-N
XLogP-0.25
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol?
The IUPAC name of 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol (CID 117037392) is 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol.
What is the SMILES notation for 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol?
The canonical SMILES for 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol is COc1ccc(S(=O)(=O)C(O)CN)cc1OC.
What is the InChIKey of 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol?
The InChIKey is OTWCBDKDKVDFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-15-8-4-3-7(5-9(8)16-2)17(13,14)10(12)6-11/h3-5,10,12H,6,11H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol?
2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol has a molecular weight of 261.30 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol is sourced from PubChem (CID 117037392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).