3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide

C11H19N3O2S — CID 113476710

IUPAC3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)C(C)(C)CO
InChIInChI=1S/C11H19N3O2S/c1-11(2,7-15)14(3)6-8-4-5-17-9(8)10(16)13-12/h4-5,15H,6-7,12H2,1-3H3,(H,13,16)
InChIKeyWOCIMJSLZRVNHP-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.55
Rot. Bonds5

About 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide

3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide (PubChem CID 113476710) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
PubChem CID113476710
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)C(C)(C)CO
InChIInChI=1S/C11H19N3O2S/c1-11(2,7-15)14(3)6-8-4-5-17-9(8)10(16)13-12/h4-5,15H,6-7,12H2,1-3H3,(H,13,16)
InChIKeyWOCIMJSLZRVNHP-UHFFFAOYSA-N
XLogP0.55
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
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 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide (CID 113476710) is 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide is CN(Cc1ccsc1C(=O)NN)C(C)(C)CO.
What is the InChIKey of 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide?
The InChIKey is WOCIMJSLZRVNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,7-15)14(3)6-8-4-5-17-9(8)10(16)13-12/h4-5,15H,6-7,12H2,1-3H3,(H,13,16).
What are the key properties of 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide?
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide has a molecular weight of 257.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 113476710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).