ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate

C8H18N2O2S — CID 90725170

IUPACethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
SMILESCCOC(=O)N(C)CCN(C)SC
InChIInChI=1S/C8H18N2O2S/c1-5-12-8(11)9(2)6-7-10(3)13-4/h5-7H2,1-4H3
InChIKeyFLIXEEFZCCPZBS-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.28
Rot. Bonds5

About ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate

ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate (PubChem CID 90725170) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
PubChem CID90725170
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Nameethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
SMILESCCOC(=O)N(C)CCN(C)SC
InChIInChI=1S/C8H18N2O2S/c1-5-12-8(11)9(2)6-7-10(3)13-4/h5-7H2,1-4H3
InChIKeyFLIXEEFZCCPZBS-UHFFFAOYSA-N
XLogP1.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
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ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethyl N-methyl-N-(7-oxooctyl)carbamate
CID 146646007
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 87130668
ethyl N-methyl-N-(2-oxoethyl)carbamate
CID 126971639
ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
CID 160936795

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate (CID 90725170) is ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate is CCOC(=O)N(C)CCN(C)SC.
What is the InChIKey of ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate?
The InChIKey is FLIXEEFZCCPZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-5-12-8(11)9(2)6-7-10(3)13-4/h5-7H2,1-4H3.
What are the key properties of ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate?
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate has a molecular weight of 206.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate is sourced from PubChem (CID 90725170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).