3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid

C11H15NO5S2 — CID 43609986

IUPAC3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CCOCC2)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-7-6-9(18-10(7)11(13)14)19(15,16)12-8-2-4-17-5-3-8/h6,8,12H,2-5H2,1H3,(H,13,14)
InChIKeyHGUTVDPTTTXKDY-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid

3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43609986) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43609986
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CCOCC2)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-7-6-9(18-10(7)11(13)14)19(15,16)12-8-2-4-17-5-3-8/h6,8,12H,2-5H2,1H3,(H,13,14)
InChIKeyHGUTVDPTTTXKDY-UHFFFAOYSA-N
XLogP1.21
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid (CID 43609986) is 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NC2CCOCC2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is HGUTVDPTTTXKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-7-6-9(18-10(7)11(13)14)19(15,16)12-8-2-4-17-5-3-8/h6,8,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43609986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).