4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine

C10H18N2S — CID 136852292

IUPAC4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CCS/C(=N\CC2(C)CC2)N1
InChIInChI=1S/C10H18N2S/c1-8-3-6-13-9(12-8)11-7-10(2)4-5-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyVGBBRLMQESLZIH-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.26
Rot. Bonds2

About 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine

4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136852292) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136852292
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CCS/C(=N\CC2(C)CC2)N1
InChIInChI=1S/C10H18N2S/c1-8-3-6-13-9(12-8)11-7-10(2)4-5-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyVGBBRLMQESLZIH-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine (CID 136852292) is 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine is CC1CCS/C(=N\CC2(C)CC2)N1.
What is the InChIKey of 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is VGBBRLMQESLZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8-3-6-13-9(12-8)11-7-10(2)4-5-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 198.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136852292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).