thiepan-3-ylmethylhydrazine

C7H16N2S — CID 84651121

IUPACthiepan-3-ylmethylhydrazine
SMILESNNCC1CCCCSC1
InChIInChI=1S/C7H16N2S/c8-9-5-7-3-1-2-4-10-6-7/h7,9H,1-6,8H2
InChIKeyDNWMUPUOKZMGNF-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.98
Rot. Bonds2

About thiepan-3-ylmethylhydrazine

thiepan-3-ylmethylhydrazine (PubChem CID 84651121) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is thiepan-3-ylmethylhydrazine.

Molecular Properties

Compound Namethiepan-3-ylmethylhydrazine
PubChem CID84651121
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Namethiepan-3-ylmethylhydrazine
SMILESNNCC1CCCCSC1
InChIInChI=1S/C7H16N2S/c8-9-5-7-3-1-2-4-10-6-7/h7,9H,1-6,8H2
InChIKeyDNWMUPUOKZMGNF-UHFFFAOYSA-N
XLogP0.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 thiepan-3-ylmethylhydrazine?
The IUPAC name of thiepan-3-ylmethylhydrazine (CID 84651121) is thiepan-3-ylmethylhydrazine.
What is the SMILES notation for thiepan-3-ylmethylhydrazine?
The canonical SMILES for thiepan-3-ylmethylhydrazine is NNCC1CCCCSC1.
What is the InChIKey of thiepan-3-ylmethylhydrazine?
The InChIKey is DNWMUPUOKZMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c8-9-5-7-3-1-2-4-10-6-7/h7,9H,1-6,8H2.
What are the key properties of thiepan-3-ylmethylhydrazine?
thiepan-3-ylmethylhydrazine has a molecular weight of 160.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiepan-3-ylmethylhydrazine is sourced from PubChem (CID 84651121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).