3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid

C11H17NO5S2 — CID 79594958

IUPAC3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)CCOC(C)C)sc1C(=O)O
InChIInChI=1S/C11H17NO5S2/c1-7(2)17-4-5-19(15,16)12-9-6-8(3)10(18-9)11(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyXYWGDZYQDZLNFF-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.92
Rot. Bonds7

About 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid

3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid (PubChem CID 79594958) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
PubChem CID79594958
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)CCOC(C)C)sc1C(=O)O
InChIInChI=1S/C11H17NO5S2/c1-7(2)17-4-5-19(15,16)12-9-6-8(3)10(18-9)11(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyXYWGDZYQDZLNFF-UHFFFAOYSA-N
XLogP1.92
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid (CID 79594958) is 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)CCOC(C)C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid?
The InChIKey is XYWGDZYQDZLNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-7(2)17-4-5-19(15,16)12-9-6-8(3)10(18-9)11(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid?
3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 79594958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).