3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide

C10H16N2O2S — CID 63568785

IUPAC3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide
SMILESCC(C)C(OCc1cccs1)C(=O)NN
InChIInChI=1S/C10H16N2O2S/c1-7(2)9(10(13)12-11)14-6-8-4-3-5-15-8/h3-5,7,9H,6,11H2,1-2H3,(H,12,13)
InChIKeyQTBZZDDNTJGAEF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.28
Rot. Bonds5

About 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide

3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide (PubChem CID 63568785) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide
PubChem CID63568785
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide
SMILESCC(C)C(OCc1cccs1)C(=O)NN
InChIInChI=1S/C10H16N2O2S/c1-7(2)9(10(13)12-11)14-6-8-4-3-5-15-8/h3-5,7,9H,6,11H2,1-2H3,(H,12,13)
InChIKeyQTBZZDDNTJGAEF-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.28
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

2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide
CID 63583861
2-(2-thiophen-2-ylethoxy)butanehydrazide
CID 63568621
2-(thiophen-2-ylmethoxy)butanamide
CID 62898972
4-(thiophen-2-ylmethoxy)pentanoic acid
CID 62215052
3-(thiophen-2-ylmethoxy)butan-1-amine
CID 114995869
1-chloroethyl thiophen-2-ylmethyl carbonate
CID 19937872
thiophen-2-ylmethyl 5-aminohexanoate
CID 82846568
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178
thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
CID 66167892
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide?
The IUPAC name of 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide (CID 63568785) is 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide.
What is the SMILES notation for 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide?
The canonical SMILES for 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide is CC(C)C(OCc1cccs1)C(=O)NN.
What is the InChIKey of 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide?
The InChIKey is QTBZZDDNTJGAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)9(10(13)12-11)14-6-8-4-3-5-15-8/h3-5,7,9H,6,11H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide?
3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide has a molecular weight of 228.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide is sourced from PubChem (CID 63568785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).