[2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine

C13H18N2OS — CID 105306540

IUPAC[2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine
SMILESNNC(C1CCOC1)C1Cc2ccccc2S1
InChIInChI=1S/C13H18N2OS/c14-15-13(10-5-6-16-8-10)12-7-9-3-1-2-4-11(9)17-12/h1-4,10,12-13,15H,5-8,14H2
InChIKeyWPXUHDVCSBLLMQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.57
Rot. Bonds3

About [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine

[2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine (PubChem CID 105306540) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine
PubChem CID105306540
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name[2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine
SMILESNNC(C1CCOC1)C1Cc2ccccc2S1
InChIInChI=1S/C13H18N2OS/c14-15-13(10-5-6-16-8-10)12-7-9-3-1-2-4-11(9)17-12/h1-4,10,12-13,15H,5-8,14H2
InChIKeyWPXUHDVCSBLLMQ-UHFFFAOYSA-N
XLogP1.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine (CID 105306540) is [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine is NNC(C1CCOC1)C1Cc2ccccc2S1.
What is the InChIKey of [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine?
The InChIKey is WPXUHDVCSBLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-15-13(10-5-6-16-8-10)12-7-9-3-1-2-4-11(9)17-12/h1-4,10,12-13,15H,5-8,14H2.
What are the key properties of [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine?
[2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine has a molecular weight of 250.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105306540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).