methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate

C6H12N2O4S — CID 175278368

IUPACmethylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
SMILESCNC(=O)OCSCOC(=O)NC
InChIInChI=1S/C6H12N2O4S/c1-7-5(9)11-3-13-4-12-6(10)8-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyNIEFPHXLOFXUIV-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.35
Rot. Bonds4

About methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate

methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate (PubChem CID 175278368) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate.

Molecular Properties

Compound Namemethylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
PubChem CID175278368
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Namemethylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
SMILESCNC(=O)OCSCOC(=O)NC
InChIInChI=1S/C6H12N2O4S/c1-7-5(9)11-3-13-4-12-6(10)8-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyNIEFPHXLOFXUIV-UHFFFAOYSA-N
XLogP0.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

iodomethyl N-methylcarbamate
CID 88927146
molecular hydrogen;2-oxopropyl N-methylcarbamate
CID 163964571
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
ethyl N-methylcarbamate;formaldehyde
CID 160650405
2-(disulfanyl)ethyl N-methylcarbamate
CID 144923803
ethane;propyl N-methylcarbamate
CID 142560404
3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate
CID 172550897
ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 172727391
[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate
CID 58805091
[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate
CID 167524612
2-sulfanylideneethyl N-methylcarbamate
CID 22381418
aminosulfanyl N-methylcarbamate
CID 21435462

Frequently Asked Questions

What is the IUPAC name of methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate?
The IUPAC name of methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate (CID 175278368) is methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate.
What is the SMILES notation for methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate?
The canonical SMILES for methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate is CNC(=O)OCSCOC(=O)NC.
What is the InChIKey of methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate?
The InChIKey is NIEFPHXLOFXUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-7-5(9)11-3-13-4-12-6(10)8-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate?
methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate has a molecular weight of 208.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate is sourced from PubChem (CID 175278368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).