5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide

C11H17N3OS — CID 2970628

IUPAC5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)NN2CCN(C)CC2)cs1
InChIInChI=1S/C11H17N3OS/c1-9-7-10(8-16-9)11(15)12-14-5-3-13(2)4-6-14/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyQWWYSVSWZKUCSF-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.95
Rot. Bonds2

About 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide

5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide (PubChem CID 2970628) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide
PubChem CID2970628
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)NN2CCN(C)CC2)cs1
InChIInChI=1S/C11H17N3OS/c1-9-7-10(8-16-9)11(15)12-14-5-3-13(2)4-6-14/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyQWWYSVSWZKUCSF-UHFFFAOYSA-N
XLogP0.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide (CID 2970628) is 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide is Cc1cc(C(=O)NN2CCN(C)CC2)cs1.
What is the InChIKey of 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide?
The InChIKey is QWWYSVSWZKUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-7-10(8-16-9)11(15)12-14-5-3-13(2)4-6-14/h7-8H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide?
5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylpiperazin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 2970628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).