[1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine

C13H20N2OS — CID 102650332

IUPAC[1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine
SMILESNNC(CCCc1cccs1)C1=CCCCO1
InChIInChI=1S/C13H20N2OS/c14-15-12(13-8-1-2-9-16-13)7-3-5-11-6-4-10-17-11/h4,6,8,10,12,15H,1-3,5,7,9,14H2
InChIKeyWKSFYZKAENIKTG-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.60
Rot. Bonds6

About [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine

[1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine (PubChem CID 102650332) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine
PubChem CID102650332
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine
SMILESNNC(CCCc1cccs1)C1=CCCCO1
InChIInChI=1S/C13H20N2OS/c14-15-12(13-8-1-2-9-16-13)7-3-5-11-6-4-10-17-11/h4,6,8,10,12,15H,1-3,5,7,9,14H2
InChIKeyWKSFYZKAENIKTG-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.60
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 [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine (CID 102650332) is [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine is NNC(CCCc1cccs1)C1=CCCCO1.
What is the InChIKey of [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine?
The InChIKey is WKSFYZKAENIKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c14-15-12(13-8-1-2-9-16-13)7-3-5-11-6-4-10-17-11/h4,6,8,10,12,15H,1-3,5,7,9,14H2.
What are the key properties of [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine?
[1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine has a molecular weight of 252.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutyl]hydrazine is sourced from PubChem (CID 102650332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).