N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene

C17H23NS — CID 144676396

IUPACN-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene
SMILESC=CC.C=N/C(=C\SC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H17NS.C3H6/c1-15-14(10-16-2)13-8-7-11-5-3-4-6-12(11)9-13;1-3-2/h7-10H,1,3-6H2,2H3;3H,1H2,2H3/b14-10-;
InChIKeyBFLXLSOSWQKPML-DZOOLQPHSA-N
MW273.45 g/mol
LogP5.12
Rot. Bonds3

About N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene

N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene (PubChem CID 144676396) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene.

Molecular Properties

Compound NameN-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene
PubChem CID144676396
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene
SMILESC=CC.C=N/C(=C\SC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H17NS.C3H6/c1-15-14(10-16-2)13-8-7-11-5-3-4-6-12(11)9-13;1-3-2/h7-10H,1,3-6H2,2H3;3H,1H2,2H3/b14-10-;
InChIKeyBFLXLSOSWQKPML-DZOOLQPHSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.45
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate
CID 116827968
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
4-methyl-2-[2-[(Z)-2-(methylideneamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]sulfanylethyl]-5-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzonitrile
CID 145045074
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-ol
CID 15468364
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
(E)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-4-en-1-amine
CID 82288633
ethane;3-[1-[(E)-2-methyl-3-(2,4,5-trimethylphenyl)but-1-enyl]sulfanylethenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 144794939
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride
CID 160531205

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene?
The IUPAC name of N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene (CID 144676396) is N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene.
What is the SMILES notation for N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene?
The canonical SMILES for N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene is C=CC.C=N/C(=C\SC)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene?
The InChIKey is BFLXLSOSWQKPML-DZOOLQPHSA-N. The full InChI is InChI=1S/C14H17NS.C3H6/c1-15-14(10-16-2)13-8-7-11-5-3-4-6-12(11)9-13;1-3-2/h7-10H,1,3-6H2,2H3;3H,1H2,2H3/b14-10-;.
What are the key properties of N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene?
N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene has a molecular weight of 273.45 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]methanimine;prop-1-ene is sourced from PubChem (CID 144676396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).