N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine

C11H17NS — CID 145188254

IUPACN-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
SMILESC=CC1=C(N=C)C(C(C)C)CSC1
InChIInChI=1S/C11H17NS/c1-5-9-6-13-7-10(8(2)3)11(9)12-4/h5,8,10H,1,4,6-7H2,2-3H3
InChIKeyADOXLVMPBUUHRC-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.15
Rot. Bonds3

About N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine

N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine (PubChem CID 145188254) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
PubChem CID145188254
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
SMILESC=CC1=C(N=C)C(C(C)C)CSC1
InChIInChI=1S/C11H17NS/c1-5-9-6-13-7-10(8(2)3)11(9)12-4/h5,8,10H,1,4,6-7H2,2-3H3
InChIKeyADOXLVMPBUUHRC-UHFFFAOYSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine;hydrate
CID 145188437
N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
CID 145188480
N-[(3Z,5Z)-6-ethylsulfanyl-7-methylnona-1,3,5-trien-5-yl]methanimine
CID 167245828
N-(6-ethenyl-4-methyl-3,4-dihydro-2H-thiopyran-5-yl)methanimine
CID 145188438

Frequently Asked Questions

What is the IUPAC name of N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine?
The IUPAC name of N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine (CID 145188254) is N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine.
What is the SMILES notation for N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine?
The canonical SMILES for N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine is C=CC1=C(N=C)C(C(C)C)CSC1.
What is the InChIKey of N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine?
The InChIKey is ADOXLVMPBUUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-9-6-13-7-10(8(2)3)11(9)12-4/h5,8,10H,1,4,6-7H2,2-3H3.
What are the key properties of N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine?
N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine has a molecular weight of 195.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-3-propan-2-yl-3,6-dihydro-2H-thiopyran-4-yl)methanimine is sourced from PubChem (CID 145188254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).