N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine

C17H17NS — CID 71409068

IUPACN-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine
SMILESCSC(=C/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NS/c1-19-17(16-10-6-3-7-11-16)12-13-18-14-15-8-4-2-5-9-15/h2-13H,14H2,1H3/b17-12?,18-13+
InChIKeyUTSOTWSKNJZKKK-HIKIFILJSA-N
MW267.40 g/mol
LogP4.66
Rot. Bonds5

About N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine

N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine (PubChem CID 71409068) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound NameN-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine
PubChem CID71409068
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC NameN-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine
SMILESCSC(=C/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NS/c1-19-17(16-10-6-3-7-11-16)12-13-18-14-15-8-4-2-5-9-15/h2-13H,14H2,1H3/b17-12?,18-13+
InChIKeyUTSOTWSKNJZKKK-HIKIFILJSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.66
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

(Z)-N-benzylbut-2-en-1-imine
CID 141334721
3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
CID 174087166
N'-(benzyliminomethyl)benzenecarboximidamide
CID 118508894
N-benzylpent-2-en-1-imine
CID 71349655
5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide
CID 174087173
N-benzyldecan-1-imine
CID 11276634
(2S)-N-benzyl-2-chloropropan-1-imine
CID 131243971
benzyliminotungsten
CID 21354480
N'-benzyl-N,N-dimethylmethanimidamide
CID 523875
N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide
CID 123237148
N-benzyl-1-(2-methylphenyl)methanimine;ethane
CID 143782253
N-benzyl-3-methylbutan-1-imine
CID 11457986

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine?
The IUPAC name of N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine (CID 71409068) is N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine.
What is the SMILES notation for N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine?
The canonical SMILES for N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine is CSC(=C/C=N/Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine?
The InChIKey is UTSOTWSKNJZKKK-HIKIFILJSA-N. The full InChI is InChI=1S/C17H17NS/c1-19-17(16-10-6-3-7-11-16)12-13-18-14-15-8-4-2-5-9-15/h2-13H,14H2,1H3/b17-12?,18-13+.
What are the key properties of N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine?
N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine has a molecular weight of 267.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 71409068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).