N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine

C10H20N2OS — CID 136755273

IUPACN-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCOCCC/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C10H20N2OS/c1-8-7-9(2)14-10(12-8)11-5-4-6-13-3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyZCXPCHTUZGYIBM-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.88
Rot. Bonds4

About N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine

N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136755273) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136755273
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCOCCC/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C10H20N2OS/c1-8-7-9(2)14-10(12-8)11-5-4-6-13-3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyZCXPCHTUZGYIBM-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136723649
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
CID 136755252
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136755260
N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136981461
2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
CID 136755278
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136755273) is N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine is COCCC/N=C1/NC(C)CC(C)S1.
What is the InChIKey of N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is ZCXPCHTUZGYIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8-7-9(2)14-10(12-8)11-5-4-6-13-3/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 216.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).