ethyl N-ethyl-N-hexylsulfanylcarbamate

C11H23NO2S — CID 176654611

IUPACethyl N-ethyl-N-hexylsulfanylcarbamate
SMILESCCCCCCSN(CC)C(=O)OCC
InChIInChI=1S/C11H23NO2S/c1-4-7-8-9-10-15-12(5-2)11(13)14-6-3/h4-10H2,1-3H3
InChIKeyYSCXWWXCBCKJQZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.69
Rot. Bonds8

About ethyl N-ethyl-N-hexylsulfanylcarbamate

ethyl N-ethyl-N-hexylsulfanylcarbamate (PubChem CID 176654611) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is ethyl N-ethyl-N-hexylsulfanylcarbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-hexylsulfanylcarbamate
PubChem CID176654611
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Nameethyl N-ethyl-N-hexylsulfanylcarbamate
SMILESCCCCCCSN(CC)C(=O)OCC
InChIInChI=1S/C11H23NO2S/c1-4-7-8-9-10-15-12(5-2)11(13)14-6-3/h4-10H2,1-3H3
InChIKeyYSCXWWXCBCKJQZ-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
hexyl N-hexylsulfanyl-N-sulfanylcarbamate
CID 56974774
ethyl N-methyl-N-octylcarbamate
CID 15790108
butyl(pentylsulfanyl)carbamic acid
CID 88837455
ethyl acetate;decakis(heptane)
CID 173339657
ethyl acetate;pentakis(heptane)
CID 173012961
dodecane;ethyl acetate
CID 173033257
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-hexylsulfanylcarbamate?
The IUPAC name of ethyl N-ethyl-N-hexylsulfanylcarbamate (CID 176654611) is ethyl N-ethyl-N-hexylsulfanylcarbamate.
What is the SMILES notation for ethyl N-ethyl-N-hexylsulfanylcarbamate?
The canonical SMILES for ethyl N-ethyl-N-hexylsulfanylcarbamate is CCCCCCSN(CC)C(=O)OCC.
What is the InChIKey of ethyl N-ethyl-N-hexylsulfanylcarbamate?
The InChIKey is YSCXWWXCBCKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-7-8-9-10-15-12(5-2)11(13)14-6-3/h4-10H2,1-3H3.
What are the key properties of ethyl N-ethyl-N-hexylsulfanylcarbamate?
ethyl N-ethyl-N-hexylsulfanylcarbamate has a molecular weight of 233.38 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-hexylsulfanylcarbamate is sourced from PubChem (CID 176654611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).