5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

C11H14N2O5S2 — CID 60721956

IUPAC5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C11H14N2O5S2/c1-20(17,18)13-6-4-12(5-7-13)10(14)8-2-3-9(19-8)11(15)16/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyNBDSOJNTDHRHFZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.16
Rot. Bonds3

About 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 60721956) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID60721956
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C11H14N2O5S2/c1-20(17,18)13-6-4-12(5-7-13)10(14)8-2-3-9(19-8)11(15)16/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyNBDSOJNTDHRHFZ-UHFFFAOYSA-N
XLogP0.16
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 18288944
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 106670963
5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)thiophene-2-carboxylic acid
CID 119186671
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
1-[5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 46651338
(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91950453
2-[2-(4-methylsulfonylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322489
5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 129468254
(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804822
acetic acid;4-(4-methylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 162310862
5-(4-methylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 60725146

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (CID 60721956) is 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is NBDSOJNTDHRHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c1-20(17,18)13-6-4-12(5-7-13)10(14)8-2-3-9(19-8)11(15)16/h2-3H,4-7H2,1H3,(H,15,16).
What are the key properties of 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 60721956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).