5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid

C10H14O4S2 — CID 63377798

IUPAC5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid
SMILESCC(C)CS(=O)(=O)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C10H14O4S2/c1-7(2)5-16(13,14)6-8-3-4-9(15-8)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyDVKBNKCFVIVDBX-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.02
Rot. Bonds5

About 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid

5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid (PubChem CID 63377798) has the molecular formula C10H14O4S2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid
PubChem CID63377798
Molecular FormulaC10H14O4S2
Molecular Weight262.35 g/mol
Exact Mass262.03
IUPAC Name5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid
SMILESCC(C)CS(=O)(=O)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C10H14O4S2/c1-7(2)5-16(13,14)6-8-3-4-9(15-8)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyDVKBNKCFVIVDBX-UHFFFAOYSA-N
XLogP2.02
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid (CID 63377798) is 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid is CC(C)CS(=O)(=O)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid?
The InChIKey is DVKBNKCFVIVDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S2/c1-7(2)5-16(13,14)6-8-3-4-9(15-8)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid?
5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63377798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).