5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

C10H14N2O4S2 — CID 54907129

IUPAC5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C10H14N2O4S2/c1-11-4-6-12(7-5-11)18(15,16)9-3-2-8(17-9)10(13)14/h2-3H,4-7H2,1H3,(H,13,14)
InChIKeyIPVIXRPBEBHQQT-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.38
Rot. Bonds3

About 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 54907129) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID54907129
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C10H14N2O4S2/c1-11-4-6-12(7-5-11)18(15,16)9-3-2-8(17-9)10(13)14/h2-3H,4-7H2,1H3,(H,13,14)
InChIKeyIPVIXRPBEBHQQT-UHFFFAOYSA-N
XLogP0.38
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907417
5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 62773271
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 54907275
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 81464542
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907136
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 82747749
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 54907129) is 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is CN1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is IPVIXRPBEBHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-11-4-6-12(7-5-11)18(15,16)9-3-2-8(17-9)10(13)14/h2-3H,4-7H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 54907129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).