5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

C12H16N2O5S2 — CID 61027124

IUPAC5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C12H16N2O5S2/c1-13-11(15)8-4-6-14(7-5-8)21(18,19)10-3-2-9(20-10)12(16)17/h2-3,8H,4-7H2,1H3,(H,13,15)(H,16,17)
InChIKeySDETVSOAKQQMSD-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.59
Rot. Bonds4

About 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid (PubChem CID 61027124) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
PubChem CID61027124
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C12H16N2O5S2/c1-13-11(15)8-4-6-14(7-5-8)21(18,19)10-3-2-9(20-10)12(16)17/h2-3,8H,4-7H2,1H3,(H,13,15)(H,16,17)
InChIKeySDETVSOAKQQMSD-UHFFFAOYSA-N
XLogP0.59
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61028177
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907417
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 82747749
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide
CID 136548371

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid (CID 61027124) is 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid is CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The InChIKey is SDETVSOAKQQMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-13-11(15)8-4-6-14(7-5-8)21(18,19)10-3-2-9(20-10)12(16)17/h2-3,8H,4-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 61027124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).