ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate

C15H21NOS — CID 146036169

IUPACethyl N-cyclohexyl-1-phenylsulfanylmethanimidate
SMILESCCO/C(=N\C1CCCCC1)Sc1ccccc1
InChIInChI=1S/C15H21NOS/c1-2-17-15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3/b16-15+
InChIKeyOBULZBDYRGWTNQ-FOCLMDBBSA-N
MW263.41 g/mol
LogP4.50
Rot. Bonds3

About ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate

ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate (PubChem CID 146036169) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate.

Molecular Properties

Compound Nameethyl N-cyclohexyl-1-phenylsulfanylmethanimidate
PubChem CID146036169
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Nameethyl N-cyclohexyl-1-phenylsulfanylmethanimidate
SMILESCCO/C(=N\C1CCCCC1)Sc1ccccc1
InChIInChI=1S/C15H21NOS/c1-2-17-15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3/b16-15+
InChIKeyOBULZBDYRGWTNQ-FOCLMDBBSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenyl N-cyclohexylmethanimidothioate
CID 12645881
N-cyclohexyl-1-phenylsulfanylmethanimidoyl chloride
CID 134917427
2-Phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 19356306
butyl N-cyclohexyl-3-phenylsulfanylprop-2-enimidate
CID 140096959
4-Methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132508763
2-Phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 132508764
4-Butan-2-yl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132508765

Frequently Asked Questions

What is the IUPAC name of ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate?
The IUPAC name of ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate (CID 146036169) is ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate.
What is the SMILES notation for ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate?
The canonical SMILES for ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate is CCO/C(=N\C1CCCCC1)Sc1ccccc1.
What is the InChIKey of ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate?
The InChIKey is OBULZBDYRGWTNQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-17-15(16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3/b16-15+.
What are the key properties of ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate?
ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate has a molecular weight of 263.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyclohexyl-1-phenylsulfanylmethanimidate is sourced from PubChem (CID 146036169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).