methyl N-(ethylsulfanylmethyl)carbamate

C5H11NO2S — CID 55286206

IUPACmethyl N-(ethylsulfanylmethyl)carbamate
SMILESCCSCNC(=O)OC
InChIInChI=1S/C5H11NO2S/c1-3-9-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyZGPZXZUXUOYFGZ-UHFFFAOYSA-N
MW149.22 g/mol
LogP1.05
Rot. Bonds3

About methyl N-(ethylsulfanylmethyl)carbamate

methyl N-(ethylsulfanylmethyl)carbamate (PubChem CID 55286206) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is methyl N-(ethylsulfanylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(ethylsulfanylmethyl)carbamate
PubChem CID55286206
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Namemethyl N-(ethylsulfanylmethyl)carbamate
SMILESCCSCNC(=O)OC
InChIInChI=1S/C5H11NO2S/c1-3-9-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyZGPZXZUXUOYFGZ-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(ethylsulfanylmethyl)carbamate?
The IUPAC name of methyl N-(ethylsulfanylmethyl)carbamate (CID 55286206) is methyl N-(ethylsulfanylmethyl)carbamate.
What is the SMILES notation for methyl N-(ethylsulfanylmethyl)carbamate?
The canonical SMILES for methyl N-(ethylsulfanylmethyl)carbamate is CCSCNC(=O)OC.
What is the InChIKey of methyl N-(ethylsulfanylmethyl)carbamate?
The InChIKey is ZGPZXZUXUOYFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-3-9-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of methyl N-(ethylsulfanylmethyl)carbamate?
methyl N-(ethylsulfanylmethyl)carbamate has a molecular weight of 149.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(ethylsulfanylmethyl)carbamate is sourced from PubChem (CID 55286206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).