N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

C11H15N3O4S2 — CID 112991880

IUPACN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=CN1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C11H15N3O4S2/c15-9-13-3-5-14(6-4-13)10(16)8-12-20(17,18)11-2-1-7-19-11/h1-2,7,9,12H,3-6,8H2
InChIKeyQIRNXXLYOVQZDL-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.67
Rot. Bonds5

About N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 112991880) has the molecular formula C11H15N3O4S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID112991880
Molecular FormulaC11H15N3O4S2
Molecular Weight317.39 g/mol
Exact Mass317.05
IUPAC NameN-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=CN1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C11H15N3O4S2/c15-9-13-3-5-14(6-4-13)10(16)8-12-20(17,18)11-2-1-7-19-11/h1-2,7,9,12H,3-6,8H2
InChIKeyQIRNXXLYOVQZDL-UHFFFAOYSA-N
XLogP-0.67
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 46361154
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
N-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119423527
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15995658
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120658921
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 120658920
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5053534
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
CID 112991865

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 112991880) is N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is O=CN1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is QIRNXXLYOVQZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S2/c15-9-13-3-5-14(6-4-13)10(16)8-12-20(17,18)11-2-1-7-19-11/h1-2,7,9,12H,3-6,8H2.
What are the key properties of N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 317.39 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112991880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).