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

C12H24N2OS — CID 136848437

IUPACN-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCOC(C)(C)C/N=C1/NC(C(C)C)CCS1
InChIInChI=1S/C12H24N2OS/c1-9(2)10-6-7-16-11(14-10)13-8-12(3,4)15-5/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyRSJAMBMLOSSDMM-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.52
Rot. Bonds4

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

N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848437) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848437
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCOC(C)(C)C/N=C1/NC(C(C)C)CCS1
InChIInChI=1S/C12H24N2OS/c1-9(2)10-6-7-16-11(14-10)13-8-12(3,4)15-5/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyRSJAMBMLOSSDMM-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine
CID 136817004
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136817006
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848253
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993350
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848437) is N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine is COC(C)(C)C/N=C1/NC(C(C)C)CCS1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is RSJAMBMLOSSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)10-6-7-16-11(14-10)13-8-12(3,4)15-5/h9-10H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 244.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).