N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine

C15H20N2S — CID 136746966

IUPACN-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
SMILESCc1ccccc1C/N=C1/NC2CCCC2CS1
InChIInChI=1S/C15H20N2S/c1-11-5-2-3-6-12(11)9-16-15-17-14-8-4-7-13(14)10-18-15/h2-3,5-6,13-14H,4,7-10H2,1H3,(H,16,17)
InChIKeyMFUZHNPTYJMXKX-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.36
Rot. Bonds2

About N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine

N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine (PubChem CID 136746966) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
PubChem CID136746966
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
SMILESCc1ccccc1C/N=C1/NC2CCCC2CS1
InChIInChI=1S/C15H20N2S/c1-11-5-2-3-6-12(11)9-16-15-17-14-8-4-7-13(14)10-18-15/h2-3,5-6,13-14H,4,7-10H2,1H3,(H,16,17)
InChIKeyMFUZHNPTYJMXKX-UHFFFAOYSA-N
XLogP3.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.36
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-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine?
The IUPAC name of N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine (CID 136746966) is N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine is Cc1ccccc1C/N=C1/NC2CCCC2CS1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine?
The InChIKey is MFUZHNPTYJMXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-5-2-3-6-12(11)9-16-15-17-14-8-4-7-13(14)10-18-15/h2-3,5-6,13-14H,4,7-10H2,1H3,(H,16,17).
What are the key properties of N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine?
N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine has a molecular weight of 260.41 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine is sourced from PubChem (CID 136746966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).