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

C10H13NS — CID 143157767

IUPACN-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine
SMILESC=C/C=N/C(=C)C1=CCCCS1
InChIInChI=1S/C10H13NS/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,6-7H,1-2,4-5,8H2/b11-7+
InChIKeyRAPYKNVAFIBCCA-YRNVUSSQSA-N
MW179.29 g/mol
LogP3.17
Rot. Bonds3

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

N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine (PubChem CID 143157767) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine
PubChem CID143157767
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine
SMILESC=C/C=N/C(=C)C1=CCCCS1
InChIInChI=1S/C10H13NS/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,6-7H,1-2,4-5,8H2/b11-7+
InChIKeyRAPYKNVAFIBCCA-YRNVUSSQSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.17
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

Indolo[6,7-d]thiophene
CID 129790170
2H-thieno[2,3-f]indole
CID 67688592
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CID 68386903
6-Thia-11-azatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 87987409
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
2,3,5a,9a-Tetrahydro-1,5-benzothiazepine
CID 91371791
2H-thieno[3,2-i][1]benzazepine
CID 121416106
(8E)-13-methyl-11lambda4-thia-7-azatricyclo[9.1.1.03,8]trideca-1(12),2,4,6,8,10-hexaene
CID 123454593
9-Thia-6-azatricyclo[8.4.0.02,5]tetradeca-1(10),2(5),3,6,13-pentaene
CID 140206250
3-Thia-14-azatricyclo[8.4.0.02,6]tetradeca-1,5,7,9,11,13-hexaene
CID 140563927
N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane
CID 143157766

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine?
The IUPAC name of N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine (CID 143157767) is N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine is C=C/C=N/C(=C)C1=CCCCS1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine?
The InChIKey is RAPYKNVAFIBCCA-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,6-7H,1-2,4-5,8H2/b11-7+.
What are the key properties of N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine?
N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine has a molecular weight of 179.29 g/mol, XLogP of 3.17, 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 is sourced from PubChem (CID 143157767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).