[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

C17H28N2OS — CID 105341663

IUPAC[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCC1(C)CC(C(NN)C2CCCc3sccc32)C(C)(C)O1
InChIInChI=1S/C17H28N2OS/c1-16(2)10-13(17(3,4)20-16)15(19-18)12-6-5-7-14-11(12)8-9-21-14/h8-9,12-13,15,19H,5-7,10,18H2,1-4H3
InChIKeyDZBVMCFTNWTMOO-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.59
Rot. Bonds3

About [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (PubChem CID 105341663) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
PubChem CID105341663
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCC1(C)CC(C(NN)C2CCCc3sccc32)C(C)(C)O1
InChIInChI=1S/C17H28N2OS/c1-16(2)10-13(17(3,4)20-16)15(19-18)12-6-5-7-14-11(12)8-9-21-14/h8-9,12-13,15,19H,5-7,10,18H2,1-4H3
InChIKeyDZBVMCFTNWTMOO-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
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 [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine with MolForge

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Related Compounds

[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105312196
[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105308080
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105322035
[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312899
[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105283115
(1S)-1-[(4S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-4-yl]ethanamine
CID 129016132
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
CID 105311558
[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
CID 105310870
[2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105290006
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-4-yl)ethanamine
CID 123902681
[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105310301

Frequently Asked Questions

What is the IUPAC name of [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The IUPAC name of [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (CID 105341663) is [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is CC1(C)CC(C(NN)C2CCCc3sccc32)C(C)(C)O1.
What is the InChIKey of [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The InChIKey is DZBVMCFTNWTMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-16(2)10-13(17(3,4)20-16)15(19-18)12-6-5-7-14-11(12)8-9-21-14/h8-9,12-13,15,19H,5-7,10,18H2,1-4H3.
What are the key properties of [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine has a molecular weight of 308.49 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105341663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).