3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide

C11H13N3O3S — CID 55246482

IUPAC3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1C(=O)CCCC1=O
InChIInChI=1S/C11H13N3O3S/c12-13-11(17)10-7(4-5-18-10)6-14-8(15)2-1-3-9(14)16/h4-5H,1-3,6,12H2,(H,13,17)
InChIKeyJDSUMMWJJZYKHG-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.39
Rot. Bonds3

About 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide

3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 55246482) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID55246482
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1C(=O)CCCC1=O
InChIInChI=1S/C11H13N3O3S/c12-13-11(17)10-7(4-5-18-10)6-14-8(15)2-1-3-9(14)16/h4-5H,1-3,6,12H2,(H,13,17)
InChIKeyJDSUMMWJJZYKHG-UHFFFAOYSA-N
XLogP0.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63639887
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide
CID 63640929
3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
CID 66322938
3-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)methyl]thiophene-2-carbohydrazide
CID 103198399
3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 102968725
3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide
CID 103503781

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide (CID 55246482) is 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1CN1C(=O)CCCC1=O.
What is the InChIKey of 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is JDSUMMWJJZYKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c12-13-11(17)10-7(4-5-18-10)6-14-8(15)2-1-3-9(14)16/h4-5H,1-3,6,12H2,(H,13,17).
What are the key properties of 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 267.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55246482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).