(1,1-dioxothiepan-2-yl)methylhydrazine

C7H16N2O2S — CID 84664359

IUPAC(1,1-dioxothiepan-2-yl)methylhydrazine
SMILESNNCC1CCCCCS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c8-9-6-7-4-2-1-3-5-12(7,10)11/h7,9H,1-6,8H2
InChIKeyGCFDGJLZWQXOQU-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.19
Rot. Bonds2

About (1,1-dioxothiepan-2-yl)methylhydrazine

(1,1-dioxothiepan-2-yl)methylhydrazine (PubChem CID 84664359) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (1,1-dioxothiepan-2-yl)methylhydrazine.

Molecular Properties

Compound Name(1,1-dioxothiepan-2-yl)methylhydrazine
PubChem CID84664359
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(1,1-dioxothiepan-2-yl)methylhydrazine
SMILESNNCC1CCCCCS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c8-9-6-7-4-2-1-3-5-12(7,10)11/h7,9H,1-6,8H2
InChIKeyGCFDGJLZWQXOQU-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
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

1-Methyl-2-(1-oxothiepan-3-yl)hydrazine
CID 170084107
Thiepan-2-ylmethylhydrazine
CID 84651120
(1,1-Dioxothiolan-2-yl)methylhydrazine
CID 84651959
2-(1,1-Dioxothietan-2-yl)ethylhydrazine
CID 84651960
(1,1-Dioxothiepan-4-yl)hydrazine
CID 84656671
(1,1-Dioxothian-2-yl)methylhydrazine
CID 84656675
2-(1,1-Dioxothiolan-2-yl)ethylhydrazine
CID 84656676
(1,1-Dioxothiepan-4-yl)methylhydrazine
CID 84664356
(1,1-Dioxothiepan-3-yl)methylhydrazine
CID 84664360
2-(1,1-Dioxothian-2-yl)ethylhydrazine
CID 84664361
1-Ethylsulfonylheptan-4-ylhydrazine
CID 105202054
4-Ethylsulfonylbutylhydrazine
CID 105220713

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiepan-2-yl)methylhydrazine?
The IUPAC name of (1,1-dioxothiepan-2-yl)methylhydrazine (CID 84664359) is (1,1-dioxothiepan-2-yl)methylhydrazine.
What is the SMILES notation for (1,1-dioxothiepan-2-yl)methylhydrazine?
The canonical SMILES for (1,1-dioxothiepan-2-yl)methylhydrazine is NNCC1CCCCCS1(=O)=O.
What is the InChIKey of (1,1-dioxothiepan-2-yl)methylhydrazine?
The InChIKey is GCFDGJLZWQXOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-9-6-7-4-2-1-3-5-12(7,10)11/h7,9H,1-6,8H2.
What are the key properties of (1,1-dioxothiepan-2-yl)methylhydrazine?
(1,1-dioxothiepan-2-yl)methylhydrazine has a molecular weight of 192.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiepan-2-yl)methylhydrazine is sourced from PubChem (CID 84664359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).