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

C14H26N2S — CID 136723626

IUPAC4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC2(CC)CCCC2)N1
InChIInChI=1S/C14H26N2S/c1-3-12-7-10-17-13(16-12)15-11-14(4-2)8-5-6-9-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyWMNKEAXLTOYVTH-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.82
Rot. Bonds4

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

4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136723626) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136723626
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC2(CC)CCCC2)N1
InChIInChI=1S/C14H26N2S/c1-3-12-7-10-17-13(16-12)15-11-14(4-2)8-5-6-9-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyWMNKEAXLTOYVTH-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.82
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-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine (CID 136723626) is 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CC2(CC)CCCC2)N1.
What is the InChIKey of 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is WMNKEAXLTOYVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-3-12-7-10-17-13(16-12)15-11-14(4-2)8-5-6-9-14/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine?
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 254.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136723626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).