(1,1-dioxothiepan-3-yl)methylhydrazine

C7H16N2O2S — CID 84664360

IUPAC(1,1-dioxothiepan-3-yl)methylhydrazine
SMILESNNCC1CCCCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O2S/c8-9-5-7-3-1-2-4-12(10,11)6-7/h7,9H,1-6,8H2
InChIKeyXTXBXUNJZODUCH-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.34
Rot. Bonds2

About (1,1-dioxothiepan-3-yl)methylhydrazine

(1,1-dioxothiepan-3-yl)methylhydrazine (PubChem CID 84664360) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (1,1-dioxothiepan-3-yl)methylhydrazine.

Molecular Properties

Compound Name(1,1-dioxothiepan-3-yl)methylhydrazine
PubChem CID84664360
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(1,1-dioxothiepan-3-yl)methylhydrazine
SMILESNNCC1CCCCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O2S/c8-9-5-7-3-1-2-4-12(10,11)6-7/h7,9H,1-6,8H2
InChIKeyXTXBXUNJZODUCH-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.34
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

Thiepan-3-ylmethylhydrazine
CID 84651121
(1,1-Dioxothian-3-yl)methylhydrazine
CID 84656672
2-(1,1-Dioxothiolan-3-yl)ethylhydrazine
CID 84656674
(1,1-Dioxothiepan-4-yl)methylhydrazine
CID 84664356
2-(1,1-Dioxothian-3-yl)ethylhydrazine
CID 84664357
2-(1,1-Dioxothian-4-yl)ethylhydrazine
CID 84664358
(1,1-Dioxothiepan-2-yl)methylhydrazine
CID 84664359
(6-Ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105199486
(2-Methyl-6-methylsulfonylhexan-3-yl)hydrazine
CID 105199494
1-(1,1-Dioxothiolan-3-yl)propan-2-ylhydrazine
CID 105282571
(5-Methyl-2-methylsulfonylhexan-3-yl)hydrazine
CID 105282768
(4-Methyl-1-methylsulfonylpentan-2-yl)hydrazine
CID 105282843

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiepan-3-yl)methylhydrazine?
The IUPAC name of (1,1-dioxothiepan-3-yl)methylhydrazine (CID 84664360) is (1,1-dioxothiepan-3-yl)methylhydrazine.
What is the SMILES notation for (1,1-dioxothiepan-3-yl)methylhydrazine?
The canonical SMILES for (1,1-dioxothiepan-3-yl)methylhydrazine is NNCC1CCCCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiepan-3-yl)methylhydrazine?
The InChIKey is XTXBXUNJZODUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-9-5-7-3-1-2-4-12(10,11)6-7/h7,9H,1-6,8H2.
What are the key properties of (1,1-dioxothiepan-3-yl)methylhydrazine?
(1,1-dioxothiepan-3-yl)methylhydrazine has a molecular weight of 192.28 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiepan-3-yl)methylhydrazine is sourced from PubChem (CID 84664360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).