2-methylsulfanylethyl N,N-dimethylcarbamate

C6H13NO2S — CID 130699366

IUPAC2-methylsulfanylethyl N,N-dimethylcarbamate
SMILESCSCCOC(=O)N(C)C
InChIInChI=1S/C6H13NO2S/c1-7(2)6(8)9-4-5-10-3/h4-5H2,1-3H3
InChIKeyBWSCFKFPCLPDEJ-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.05
Rot. Bonds3

About 2-methylsulfanylethyl N,N-dimethylcarbamate

2-methylsulfanylethyl N,N-dimethylcarbamate (PubChem CID 130699366) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-methylsulfanylethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-methylsulfanylethyl N,N-dimethylcarbamate
PubChem CID130699366
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-methylsulfanylethyl N,N-dimethylcarbamate
SMILESCSCCOC(=O)N(C)C
InChIInChI=1S/C6H13NO2S/c1-7(2)6(8)9-4-5-10-3/h4-5H2,1-3H3
InChIKeyBWSCFKFPCLPDEJ-UHFFFAOYSA-N
XLogP1.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Thiocyanato)propan-2-yl dimethylcarbamate
CID 115773
2-(Ethylthio)ethyl dimethylcarbamate
CID 76309296
2-methylsulfonylethyl N,N-dimethylcarbamate
CID 22979550
Acetylsulfanylmethyl Dimethylcarbamate
CID 86663375
S-[2-(dimethylcarbamoyloxy)ethyl] ethanethioate
CID 118520562
Ethyl 2-(dimethylcarbamoylsulfanyl)acetate
CID 122588409
4-methylsulfanylbutyl N,N-dimethylcarbamate
CID 123152088
2-(trimethyl-lambda4-sulfanyl)ethyl N-hydroxy-N-methylcarbamate
CID 126725190
ethyl N-methyl-N-(sulfanylmethyl)carbamate
CID 145333635
1-methylsulfanylethyl N,N-dimethylcarbamate
CID 154939008
ethyl N-ethyl-N-(2-methylsulfanylethyl)carbamate
CID 169864882
2-(Dimethylcarbamoylsulfanyl)ethyl acetate
CID 169993861

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethyl N,N-dimethylcarbamate?
The IUPAC name of 2-methylsulfanylethyl N,N-dimethylcarbamate (CID 130699366) is 2-methylsulfanylethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-methylsulfanylethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-methylsulfanylethyl N,N-dimethylcarbamate is CSCCOC(=O)N(C)C.
What is the InChIKey of 2-methylsulfanylethyl N,N-dimethylcarbamate?
The InChIKey is BWSCFKFPCLPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7(2)6(8)9-4-5-10-3/h4-5H2,1-3H3.
What are the key properties of 2-methylsulfanylethyl N,N-dimethylcarbamate?
2-methylsulfanylethyl N,N-dimethylcarbamate has a molecular weight of 163.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethyl N,N-dimethylcarbamate is sourced from PubChem (CID 130699366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).