N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine

C12H22N2S — CID 136848320

IUPACN-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCC2CC2)N1
InChIInChI=1S/C12H22N2S/c1-9(2)11-6-8-15-12(14-11)13-7-5-10-3-4-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyOSLNUSMTIRBRAN-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.89
Rot. Bonds4

About N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine

N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848320) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848320
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCC2CC2)N1
InChIInChI=1S/C12H22N2S/c1-9(2)11-6-8-15-12(14-11)13-7-5-10-3-4-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyOSLNUSMTIRBRAN-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.89
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 N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848320) is N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\CCC2CC2)N1.
What is the InChIKey of N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is OSLNUSMTIRBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(2)11-6-8-15-12(14-11)13-7-5-10-3-4-10/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 226.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).