1-methyl-2-(1-oxothiepan-3-yl)hydrazine

C7H16N2OS — CID 170084107

IUPAC1-methyl-2-(1-oxothiepan-3-yl)hydrazine
SMILESCNNC1CCCCS(=O)C1
InChIInChI=1S/C7H16N2OS/c1-8-9-7-4-2-3-5-11(10)6-7/h7-9H,2-6H2,1H3
InChIKeyGTTMBQLUZFADQD-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.01
Rot. Bonds2

About 1-methyl-2-(1-oxothiepan-3-yl)hydrazine

1-methyl-2-(1-oxothiepan-3-yl)hydrazine (PubChem CID 170084107) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-methyl-2-(1-oxothiepan-3-yl)hydrazine.

Molecular Properties

Compound Name1-methyl-2-(1-oxothiepan-3-yl)hydrazine
PubChem CID170084107
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-methyl-2-(1-oxothiepan-3-yl)hydrazine
SMILESCNNC1CCCCS(=O)C1
InChIInChI=1S/C7H16N2OS/c1-8-9-7-4-2-3-5-11(10)6-7/h7-9H,2-6H2,1H3
InChIKeyGTTMBQLUZFADQD-UHFFFAOYSA-N
XLogP0.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-oxothiepan-3-yl)hydrazine?
The IUPAC name of 1-methyl-2-(1-oxothiepan-3-yl)hydrazine (CID 170084107) is 1-methyl-2-(1-oxothiepan-3-yl)hydrazine.
What is the SMILES notation for 1-methyl-2-(1-oxothiepan-3-yl)hydrazine?
The canonical SMILES for 1-methyl-2-(1-oxothiepan-3-yl)hydrazine is CNNC1CCCCS(=O)C1.
What is the InChIKey of 1-methyl-2-(1-oxothiepan-3-yl)hydrazine?
The InChIKey is GTTMBQLUZFADQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-8-9-7-4-2-3-5-11(10)6-7/h7-9H,2-6H2,1H3.
What are the key properties of 1-methyl-2-(1-oxothiepan-3-yl)hydrazine?
1-methyl-2-(1-oxothiepan-3-yl)hydrazine has a molecular weight of 176.28 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-oxothiepan-3-yl)hydrazine is sourced from PubChem (CID 170084107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).