[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine

C17H28N2OS — CID 105325176

IUPAC[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2CCOC3(CCCCC3)C2)sc1C
InChIInChI=1S/C17H28N2OS/c1-12-10-15(21-13(12)2)16(19-18)14-6-9-20-17(11-14)7-4-3-5-8-17/h10,14,16,19H,3-9,11,18H2,1-2H3
InChIKeyPRLFAXUVMGQWIF-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.00
Rot. Bonds3

About [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine

[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105325176) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105325176
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2CCOC3(CCCCC3)C2)sc1C
InChIInChI=1S/C17H28N2OS/c1-12-10-15(21-13(12)2)16(19-18)14-6-9-20-17(11-14)7-4-3-5-8-17/h10,14,16,19H,3-9,11,18H2,1-2H3
InChIKeyPRLFAXUVMGQWIF-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325420
[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323230
N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016723
[(5-methylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325423
[1-oxaspiro[5.5]undecan-4-yl(thiophen-2-yl)methyl]hydrazine
CID 105193759
[(5-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325208
N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017030
[(4-fluoro-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105256747
[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105257533
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(4,5-dimethylthiophen-2-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311776
[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105220110

Frequently Asked Questions

What is the IUPAC name of [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105325176) is [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine is Cc1cc(C(NN)C2CCOC3(CCCCC3)C2)sc1C.
What is the InChIKey of [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is PRLFAXUVMGQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-12-10-15(21-13(12)2)16(19-18)14-6-9-20-17(11-14)7-4-3-5-8-17/h10,14,16,19H,3-9,11,18H2,1-2H3.
What are the key properties of [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine has a molecular weight of 308.49 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105325176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).