4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide

C9H19N3O3S — CID 63571628

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-8(2-3-9(13)11-10)12-4-6-16(14,15)7-5-12/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyUWVXJMUCVPOKLM-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.12
Rot. Bonds4

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide

4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide (PubChem CID 63571628) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
PubChem CID63571628
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-8(2-3-9(13)11-10)12-4-6-16(14,15)7-5-12/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyUWVXJMUCVPOKLM-UHFFFAOYSA-N
XLogP-1.12
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide (CID 63571628) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide is CC(CCC(=O)NN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide?
The InChIKey is UWVXJMUCVPOKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-8(2-3-9(13)11-10)12-4-6-16(14,15)7-5-12/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide?
4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide has a molecular weight of 249.34 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide is sourced from PubChem (CID 63571628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).