4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

C10H15N3O3S2 — CID 6486062

IUPAC4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C10H15N3O3S2/c1-12-2-4-13(5-3-12)18(15,16)8-6-9(10(11)14)17-7-8/h6-7H,2-5H2,1H3,(H2,11,14)
InChIKeyUWPFXIUPLOYYBS-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.22
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 6486062) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID6486062
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1
InChIInChI=1S/C10H15N3O3S2/c1-12-2-4-13(5-3-12)18(15,16)8-6-9(10(11)14)17-7-8/h6-7H,2-5H2,1H3,(H2,11,14)
InChIKeyUWPFXIUPLOYYBS-UHFFFAOYSA-N
XLogP-0.22
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4779966
4-[(3-Methyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxamide
CID 6486032
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
4-Diethylsulfamoyl-thiophene-2-carboxylic acid cyclohexylamide
CID 655038
[4-(Benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 717233
1-(Methylsulfonyl)-4-[(5-methyl-3-thienyl)carbonyl]piperazine
CID 1245404
(5-Methylthiophen-2-yl)[4-(phenylsulfonyl)piperazin-1-yl]methanone
CID 4506512
4-(1-Piperidinylsulfonyl)-2-thiophenecarboxamide
CID 6486027
4-(4-Morpholinylsulfonyl)-2-thiophenecarboxamide
CID 6486031
4-[(Thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxamide
CID 6486060

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (CID 6486062) is 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is CN1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is UWPFXIUPLOYYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-12-2-4-13(5-3-12)18(15,16)8-6-9(10(11)14)17-7-8/h6-7H,2-5H2,1H3,(H2,11,14).
What are the key properties of 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6486062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).