2-methylsulfanylethyl N-methylcarbamate

C5H11NO2S — CID 88857765

IUPAC2-methylsulfanylethyl N-methylcarbamate
SMILESCNC(=O)OCCSC
InChIInChI=1S/C5H11NO2S/c1-6-5(7)8-3-4-9-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyBRDNEQWZVVSPPY-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.71
Rot. Bonds3

About 2-methylsulfanylethyl N-methylcarbamate

2-methylsulfanylethyl N-methylcarbamate (PubChem CID 88857765) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-methylsulfanylethyl N-methylcarbamate.

Molecular Properties

Compound Name2-methylsulfanylethyl N-methylcarbamate
PubChem CID88857765
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-methylsulfanylethyl N-methylcarbamate
SMILESCNC(=O)OCCSC
InChIInChI=1S/C5H11NO2S/c1-6-5(7)8-3-4-9-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyBRDNEQWZVVSPPY-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethyl N-methylcarbamate?
The IUPAC name of 2-methylsulfanylethyl N-methylcarbamate (CID 88857765) is 2-methylsulfanylethyl N-methylcarbamate.
What is the SMILES notation for 2-methylsulfanylethyl N-methylcarbamate?
The canonical SMILES for 2-methylsulfanylethyl N-methylcarbamate is CNC(=O)OCCSC.
What is the InChIKey of 2-methylsulfanylethyl N-methylcarbamate?
The InChIKey is BRDNEQWZVVSPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-5(7)8-3-4-9-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of 2-methylsulfanylethyl N-methylcarbamate?
2-methylsulfanylethyl N-methylcarbamate has a molecular weight of 149.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethyl N-methylcarbamate is sourced from PubChem (CID 88857765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).