5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide

C13H23N3OS — CID 63585226

IUPAC5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(N(C)Cc1ccc(C(=O)NN)s1)C(C)(C)C
InChIInChI=1S/C13H23N3OS/c1-9(13(2,3)4)16(5)8-10-6-7-11(18-10)12(17)15-14/h6-7,9H,8,14H2,1-5H3,(H,15,17)
InChIKeyDAADNEFGLXDQCB-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.22
Rot. Bonds4

About 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide

5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63585226) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63585226
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(N(C)Cc1ccc(C(=O)NN)s1)C(C)(C)C
InChIInChI=1S/C13H23N3OS/c1-9(13(2,3)4)16(5)8-10-6-7-11(18-10)12(17)15-14/h6-7,9H,8,14H2,1-5H3,(H,15,17)
InChIKeyDAADNEFGLXDQCB-UHFFFAOYSA-N
XLogP2.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585748
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66216952
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63585839

Frequently Asked Questions

What is the IUPAC name of 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide (CID 63585226) is 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide is CC(N(C)Cc1ccc(C(=O)NN)s1)C(C)(C)C.
What is the InChIKey of 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is DAADNEFGLXDQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(13(2,3)4)16(5)8-10-6-7-11(18-10)12(17)15-14/h6-7,9H,8,14H2,1-5H3,(H,15,17).
What are the key properties of 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 269.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63585226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).