3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

C10H14N2O4S2 — CID 17221108

IUPAC3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccsc2C(=O)O)CC1
InChIInChI=1S/C10H14N2O4S2/c1-11-3-5-12(6-4-11)18(15,16)8-2-7-17-9(8)10(13)14/h2,7H,3-6H2,1H3,(H,13,14)
InChIKeyVUDUOUWCRKLBSX-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.38
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 17221108) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID17221108
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccsc2C(=O)O)CC1
InChIInChI=1S/C10H14N2O4S2/c1-11-3-5-12(6-4-11)18(15,16)8-2-7-17-9(8)10(13)14/h2,7H,3-6H2,1H3,(H,13,14)
InChIKeyVUDUOUWCRKLBSX-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

3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63610538
3-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103494323
(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]thiophene-2-carboxylic acid
CID 107453716
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-2-carboxylic acid
CID 112726209
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 114459835
3-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 112624774
methyl 3-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122341188
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 114408409
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
CID 55524372
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
CID 16646038

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 17221108) is 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is CN1CCN(S(=O)(=O)c2ccsc2C(=O)O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is VUDUOUWCRKLBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-11-3-5-12(6-4-11)18(15,16)8-2-7-17-9(8)10(13)14/h2,7H,3-6H2,1H3,(H,13,14).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
3-(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 3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 17221108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).