5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid

C12H17NO5S2 — CID 43372972

IUPAC5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
SMILESCOC1CCN(S(=O)(=O)c2cc(C)c(C(=O)O)s2)CC1
InChIInChI=1S/C12H17NO5S2/c1-8-7-10(19-11(8)12(14)15)20(16,17)13-5-3-9(18-2)4-6-13/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyAUGMQKCCSIGRMW-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.55
Rot. Bonds4

About 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid

5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid (PubChem CID 43372972) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
PubChem CID43372972
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
SMILESCOC1CCN(S(=O)(=O)c2cc(C)c(C(=O)O)s2)CC1
InChIInChI=1S/C12H17NO5S2/c1-8-7-10(19-11(8)12(14)15)20(16,17)13-5-3-9(18-2)4-6-13/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyAUGMQKCCSIGRMW-UHFFFAOYSA-N
XLogP1.55
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 43581495
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104958042
2-[1-(4,5-dimethylthiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetic acid
CID 166292077
3-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-2-carboxylic acid
CID 62988173
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
5-(2-ethylazepan-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104689156
[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 102970866
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
3-methyl-5-(5-oxa-8-azaspiro[3.5]nonan-8-ylsulfonyl)thiophene-2-carboxylic acid
CID 138003226
3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid
CID 106773984
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid (CID 43372972) is 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid is COC1CCN(S(=O)(=O)c2cc(C)c(C(=O)O)s2)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid?
The InChIKey is AUGMQKCCSIGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-8-7-10(19-11(8)12(14)15)20(16,17)13-5-3-9(18-2)4-6-13/h7,9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid?
5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43372972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).