N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane

C14H25NS — CID 143157766

IUPACN-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane
SMILESC=C/C=N/C(=C)C1=CCCCS1.CC.CC
InChIInChI=1S/C10H13NS.2C2H6/c1-3-7-11-9(2)10-6-4-5-8-12-10;2*1-2/h3,6-7H,1-2,4-5,8H2;2*1-2H3/b11-7+;;
InChIKeyWIOLLSNCHWFCFF-FCVAESPPSA-N
MW239.43 g/mol
LogP5.22
Rot. Bonds3

About N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane

N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane (PubChem CID 143157766) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane
PubChem CID143157766
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane
SMILESC=C/C=N/C(=C)C1=CCCCS1.CC.CC
InChIInChI=1S/C10H13NS.2C2H6/c1-3-7-11-9(2)10-6-4-5-8-12-10;2*1-2/h3,6-7H,1-2,4-5,8H2;2*1-2H3/b11-7+;;
InChIKeyWIOLLSNCHWFCFF-FCVAESPPSA-N
XLogP5.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.22
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

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N-[(1Z)-1-(2,3-dihydrothiophen-2-yl)buta-1,3-dienyl]ethanimine
CID 89188341
(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine
CID 89470417
(8E)-13-methyl-11lambda4-thia-7-azatricyclo[9.1.1.03,8]trideca-1(12),2,4,6,8,10-hexaene
CID 123454593
ethane;7-(2-methylsulfanyl-2,3-dihydrothiophen-5-yl)-3H-azepine
CID 143490970
5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine
CID 143987850
N-[1-(4-ethylsulfanylcyclohexa-1,3-dien-1-yl)ethenyl]-2-methylprop-2-en-1-imine
CID 145351625
N-(2-ethylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 145388228
N-[(Z)-3-methylsulfanylhept-3-en-4-yl]prop-2-en-1-imine
CID 167152559
N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine
CID 167295151
N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine
CID 143157767

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane?
The IUPAC name of N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane (CID 143157766) is N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane?
The canonical SMILES for N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane is C=C/C=N/C(=C)C1=CCCCS1.CC.CC.
What is the InChIKey of N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane?
The InChIKey is WIOLLSNCHWFCFF-FCVAESPPSA-N. The full InChI is InChI=1S/C10H13NS.2C2H6/c1-3-7-11-9(2)10-6-4-5-8-12-10;2*1-2/h3,6-7H,1-2,4-5,8H2;2*1-2H3/b11-7+;;.
What are the key properties of N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane?
N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane has a molecular weight of 239.43 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane is sourced from PubChem (CID 143157766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).