[1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

C17H24N2OS — CID 105341674

IUPAC[1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCC1(C)CC(C(NN)c2csc3ccccc23)C(C)(C)O1
InChIInChI=1S/C17H24N2OS/c1-16(2)9-13(17(3,4)20-16)15(19-18)12-10-21-14-8-6-5-7-11(12)14/h5-8,10,13,15,19H,9,18H2,1-4H3
InChIKeySXRBMOLUYSQPNU-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.00
Rot. Bonds3

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

[1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (PubChem CID 105341674) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
PubChem CID105341674
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name[1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCC1(C)CC(C(NN)c2csc3ccccc23)C(C)(C)O1
InChIInChI=1S/C17H24N2OS/c1-16(2)9-13(17(3,4)20-16)15(19-18)12-10-21-14-8-6-5-7-11(12)14/h5-8,10,13,15,19H,9,18H2,1-4H3
InChIKeySXRBMOLUYSQPNU-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 ≤ 500304.46
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'}

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Related Compounds

[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105208749
[(2-methylfuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105269161
[(2-methoxy-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341654
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
[pyrazolo[1,5-a]pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 103129985
[(3-iodophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341599
[(3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105191789
(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
CID 98219426
1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131784
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
[1H-imidazol-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105252265
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (CID 105341674) is [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is CC1(C)CC(C(NN)c2csc3ccccc23)C(C)(C)O1.
What is the InChIKey of [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The InChIKey is SXRBMOLUYSQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-16(2)9-13(17(3,4)20-16)15(19-18)12-10-21-14-8-6-5-7-11(12)14/h5-8,10,13,15,19H,9,18H2,1-4H3.
What are the key properties of [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
[1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine has a molecular weight of 304.46 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 [1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105341674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).