5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide

C14H24N4OS — CID 63572100

IUPAC5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
SMILESCN1CCC(CN(C)Cc2ccc(C(=O)NN)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-17-7-5-11(6-8-17)9-18(2)10-12-3-4-13(20-12)14(19)16-15/h3-4,11H,5-10,15H2,1-2H3,(H,16,19)
InChIKeyWKHNQELSDSOMOM-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.13
Rot. Bonds5

About 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide

5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63572100) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
PubChem CID63572100
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
SMILESCN1CCC(CN(C)Cc2ccc(C(=O)NN)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-17-7-5-11(6-8-17)9-18(2)10-12-3-4-13(20-12)14(19)16-15/h3-4,11H,5-10,15H2,1-2H3,(H,16,19)
InChIKeyWKHNQELSDSOMOM-UHFFFAOYSA-N
XLogP1.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide (CID 63572100) is 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide is CN1CCC(CN(C)Cc2ccc(C(=O)NN)s2)CC1.
What is the InChIKey of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is WKHNQELSDSOMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-17-7-5-11(6-8-17)9-18(2)10-12-3-4-13(20-12)14(19)16-15/h3-4,11H,5-10,15H2,1-2H3,(H,16,19).
What are the key properties of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide?
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 296.44 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63572100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).