cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine

C8H14N2O2S — CID 63175916

IUPACcyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14N2O2S/c9-8(7-1-2-7)10-3-5-13(11,12)6-4-10/h7,9H,1-6H2/b9-8+
InChIKeyUEPPLBQTAZLADQ-CMDGGOBGSA-N
MW202.28 g/mol
LogP0.10
Rot. Bonds1

About cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine

cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine (PubChem CID 63175916) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine
PubChem CID63175916
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Namecyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14N2O2S/c9-8(7-1-2-7)10-3-5-13(11,12)6-4-10/h7,9H,1-6H2/b9-8+
InChIKeyUEPPLBQTAZLADQ-CMDGGOBGSA-N
XLogP0.10
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine?
The IUPAC name of cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine (CID 63175916) is cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine.
What is the SMILES notation for cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine?
The canonical SMILES for cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine is [H]/N=C(\C1CC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine?
The InChIKey is UEPPLBQTAZLADQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2O2S/c9-8(7-1-2-7)10-3-5-13(11,12)6-4-10/h7,9H,1-6H2/b9-8+.
What are the key properties of cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine?
cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine has a molecular weight of 202.28 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine is sourced from PubChem (CID 63175916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).