1-methylsulfanylethyl N-methylcarbamate

C5H11NO2S — CID 59087350

IUPAC1-methylsulfanylethyl N-methylcarbamate
SMILESCNC(=O)OC(C)SC
InChIInChI=1S/C5H11NO2S/c1-4(9-3)8-5(7)6-2/h4H,1-3H3,(H,6,7)
InChIKeyNWFDOHRBRQCZNT-UHFFFAOYSA-N
MW149.21 g/mol
LogP1.05
Rot. Bonds2

About 1-methylsulfanylethyl N-methylcarbamate

1-methylsulfanylethyl N-methylcarbamate (PubChem CID 59087350) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 1-methylsulfanylethyl N-methylcarbamate.

Molecular Properties

Compound Name1-methylsulfanylethyl N-methylcarbamate
PubChem CID59087350
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name1-methylsulfanylethyl N-methylcarbamate
SMILESCNC(=O)OC(C)SC
InChIInChI=1S/C5H11NO2S/c1-4(9-3)8-5(7)6-2/h4H,1-3H3,(H,6,7)
InChIKeyNWFDOHRBRQCZNT-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylethyl N-methylcarbamate?
The IUPAC name of 1-methylsulfanylethyl N-methylcarbamate (CID 59087350) is 1-methylsulfanylethyl N-methylcarbamate.
What is the SMILES notation for 1-methylsulfanylethyl N-methylcarbamate?
The canonical SMILES for 1-methylsulfanylethyl N-methylcarbamate is CNC(=O)OC(C)SC.
What is the InChIKey of 1-methylsulfanylethyl N-methylcarbamate?
The InChIKey is NWFDOHRBRQCZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4(9-3)8-5(7)6-2/h4H,1-3H3,(H,6,7).
What are the key properties of 1-methylsulfanylethyl N-methylcarbamate?
1-methylsulfanylethyl N-methylcarbamate has a molecular weight of 149.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylethyl N-methylcarbamate is sourced from PubChem (CID 59087350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).