1-(thiolan-3-yl)hex-5-ynylhydrazine

C10H18N2S — CID 105333543

IUPAC1-(thiolan-3-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1CCSC1
InChIInChI=1S/C10H18N2S/c1-2-3-4-5-10(12-11)9-6-7-13-8-9/h1,9-10,12H,3-8,11H2
InChIKeySFTISKYCPBHQDW-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.37
Rot. Bonds5

About 1-(thiolan-3-yl)hex-5-ynylhydrazine

1-(thiolan-3-yl)hex-5-ynylhydrazine (PubChem CID 105333543) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(thiolan-3-yl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(thiolan-3-yl)hex-5-ynylhydrazine
PubChem CID105333543
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(thiolan-3-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1CCSC1
InChIInChI=1S/C10H18N2S/c1-2-3-4-5-10(12-11)9-6-7-13-8-9/h1,9-10,12H,3-8,11H2
InChIKeySFTISKYCPBHQDW-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)hex-5-ynylhydrazine?
The IUPAC name of 1-(thiolan-3-yl)hex-5-ynylhydrazine (CID 105333543) is 1-(thiolan-3-yl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(thiolan-3-yl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(thiolan-3-yl)hex-5-ynylhydrazine is C#CCCCC(NN)C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)hex-5-ynylhydrazine?
The InChIKey is SFTISKYCPBHQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-3-4-5-10(12-11)9-6-7-13-8-9/h1,9-10,12H,3-8,11H2.
What are the key properties of 1-(thiolan-3-yl)hex-5-ynylhydrazine?
1-(thiolan-3-yl)hex-5-ynylhydrazine has a molecular weight of 198.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)hex-5-ynylhydrazine is sourced from PubChem (CID 105333543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).