N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine

C9H13NS — CID 90893189

IUPACN-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine
SMILESC=C/N=C1/CC(CC)C=CS1
InChIInChI=1S/C9H13NS/c1-3-8-5-6-11-9(7-8)10-4-2/h4-6,8H,2-3,7H2,1H3/b10-9-
InChIKeyOKSZTRNVAWVCRH-KTKRTIGZSA-N
MW167.28 g/mol
LogP3.21
Rot. Bonds2

About N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine

N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine (PubChem CID 90893189) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine.

Molecular Properties

Compound NameN-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine
PubChem CID90893189
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine
SMILESC=C/N=C1/CC(CC)C=CS1
InChIInChI=1S/C9H13NS/c1-3-8-5-6-11-9(7-8)10-4-2/h4-6,8H,2-3,7H2,1H3/b10-9-
InChIKeyOKSZTRNVAWVCRH-KTKRTIGZSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.21
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

Tetrahydropyrido(b)thiophene
CID 129786507
(3R,4S)-4-(2-methylprop-2-enyl)-3-prop-2-enyl-2-prop-2-enylsulfanyl-3,4-dihydropyridine
CID 135040542
4-Methyl-2-methylsulfanyl-3,4-dihydropyridine
CID 68102666
2-Butan-2-yl-6-methyl-6-propyl-1,3-thiazine
CID 91070409
2-Propylsulfanyl-3,4-dihydropyridine
CID 91276382
4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine
CID 129313799
4-Ethenyl-3-methylsulfanyl-3,4-dihydropyridine
CID 130242600
4-Methyl-2-(3-methylbutan-2-yldisulfanyl)-3,4-dihydropyridine
CID 130361041
6-heptan-2-yl-2-methyl-6H-1,3-thiazine
CID 139385882
4-(2-Methylsulfanylethyl)-3,4-dihydropyridine
CID 143082108
4-(2-Ethylsulfanylethyl)-3,4-dihydropyridine
CID 143418346
6-methyl-2-propan-2-yl-6H-1,3-thiazine
CID 155154829

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine?
The IUPAC name of N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine (CID 90893189) is N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine.
What is the SMILES notation for N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine?
The canonical SMILES for N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine is C=C/N=C1/CC(CC)C=CS1.
What is the InChIKey of N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine?
The InChIKey is OKSZTRNVAWVCRH-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-8-5-6-11-9(7-8)10-4-2/h4-6,8H,2-3,7H2,1H3/b10-9-.
What are the key properties of N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine?
N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine has a molecular weight of 167.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine is sourced from PubChem (CID 90893189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).