O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate

C14H18N2OS — CID 134889917

IUPACO-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate
SMILESC=CCC/C(=N/N(C)C(=S)OC)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-4-5-11-13(12-9-7-6-8-10-12)15-16(2)14(18)17-3/h4,6-10H,1,5,11H2,2-3H3/b15-13-
InChIKeyRHYZQMSZNSLPGM-SQFISAMPSA-N
MW262.38 g/mol
LogP3.22
Rot. Bonds5

About O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate

O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate (PubChem CID 134889917) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate.

Molecular Properties

Compound NameO-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate
PubChem CID134889917
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameO-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate
SMILESC=CCC/C(=N/N(C)C(=S)OC)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-4-5-11-13(12-9-7-6-8-10-12)15-16(2)14(18)17-3/h4,6-10H,1,5,11H2,2-3H3/b15-13-
InChIKeyRHYZQMSZNSLPGM-SQFISAMPSA-N
XLogP3.22
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Acetophenone, dimethylhydrazone
CID 6172446
Hydrazinium, 2-(alpha-methylbenzylidene)-1,1,1-trimethyl-, iodide
CID 9570518
trimethyl-[(E)-(2-methyl-1-phenylpropylidene)amino]azanium iodide
CID 5458286
trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium
CID 5475291
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-N-methylmethanamine
CID 9554546
(2E)-1,1,1-Trimethyl-2-(1-phenylpropylidene)hydrazin-1-ium iodide
CID 12222855
Acetophenone dimethyl hydrazone
CID 26048
Dimethyl-(1-phenyl-ethylideneamino)-amine
CID 5360427
trimethyl-[(E)-(2-methyl-1-phenylpropylidene)amino]azanium
CID 5458287
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-N-methylmethanamine
CID 5943649
2-[1-(4-Fluorophenyl)ethylidene]-1,1-dimethylhydrazine
CID 290921
trimethyl-[(E)-1-phenylethylideneamino]azanium
CID 6054251

Frequently Asked Questions

What is the IUPAC name of O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate?
The IUPAC name of O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate (CID 134889917) is O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate.
What is the SMILES notation for O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate?
The canonical SMILES for O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate is C=CCC/C(=N/N(C)C(=S)OC)c1ccccc1.
What is the InChIKey of O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate?
The InChIKey is RHYZQMSZNSLPGM-SQFISAMPSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-5-11-13(12-9-7-6-8-10-12)15-16(2)14(18)17-3/h4,6-10H,1,5,11H2,2-3H3/b15-13-.
What are the key properties of O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate?
O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate has a molecular weight of 262.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate is sourced from PubChem (CID 134889917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).