2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide

C7H15N3O2S — CID 130696825

IUPAC2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide
SMILESNNC(=O)CN1CCCS(=O)CC1
InChIInChI=1S/C7H15N3O2S/c8-9-7(11)6-10-2-1-4-13(12)5-3-10/h1-6,8H2,(H,9,11)
InChIKeyPMWFPGURXNWTTB-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.57
Rot. Bonds2

About 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide

2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide (PubChem CID 130696825) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide
PubChem CID130696825
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide
SMILESNNC(=O)CN1CCCS(=O)CC1
InChIInChI=1S/C7H15N3O2S/c8-9-7(11)6-10-2-1-4-13(12)5-3-10/h1-6,8H2,(H,9,11)
InChIKeyPMWFPGURXNWTTB-UHFFFAOYSA-N
XLogP-1.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide?
The IUPAC name of 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide (CID 130696825) is 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide.
What is the SMILES notation for 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide?
The canonical SMILES for 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide is NNC(=O)CN1CCCS(=O)CC1.
What is the InChIKey of 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide?
The InChIKey is PMWFPGURXNWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c8-9-7(11)6-10-2-1-4-13(12)5-3-10/h1-6,8H2,(H,9,11).
What are the key properties of 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide?
2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide has a molecular weight of 205.28 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1,4-thiazepan-4-yl)acetohydrazide is sourced from PubChem (CID 130696825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).