N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine

C15H26N2OS — CID 136747419

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESCOCCC1(C/N=C2/NC3CCCCC3CS2)CC1
InChIInChI=1S/C15H26N2OS/c1-18-9-8-15(6-7-15)11-16-14-17-13-5-3-2-4-12(13)10-19-14/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyWUUPACREUPLINH-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.05
Rot. Bonds5

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (PubChem CID 136747419) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
PubChem CID136747419
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESCOCCC1(C/N=C2/NC3CCCCC3CS2)CC1
InChIInChI=1S/C15H26N2OS/c1-18-9-8-15(6-7-15)11-16-14-17-13-5-3-2-4-12(13)10-19-14/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyWUUPACREUPLINH-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747420
N-[(1-ethylcyclobutyl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747414
N-[(1-methylcyclopentyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993516
N-[3-(2-methoxyethoxy)propyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747399
N-ethyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136713680
1-[(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 136747265
N-[(1-methylsulfanylcyclobutyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993578
N-(2,2-dimethylbutyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747376
N-[2-(2,2-difluoroethoxy)ethyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136993584
N-(thian-4-ylmethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136993554
N-[(4-methylphenyl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746913
N-[(3-methylcyclopentyl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747385

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (CID 136747419) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is COCCC1(C/N=C2/NC3CCCCC3CS2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The InChIKey is WUUPACREUPLINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-18-9-8-15(6-7-15)11-16-14-17-13-5-3-2-4-12(13)10-19-14/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine has a molecular weight of 282.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is sourced from PubChem (CID 136747419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).