tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate

C10H21NO2S — CID 175563660

IUPACtert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
SMILESCCSCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-6-14-8-7-11(5)9(12)13-10(2,3)4/h6-8H2,1-5H3
InChIKeyLFKGCMDQTFTXHE-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.61
Rot. Bonds4

About tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate

tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate (PubChem CID 175563660) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
PubChem CID175563660
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
SMILESCCSCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-6-14-8-7-11(5)9(12)13-10(2,3)4/h6-8H2,1-5H3
InChIKeyLFKGCMDQTFTXHE-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.61
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

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
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tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
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tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
(2S)-2-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 87572620
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
CID 166698146
tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
CID 123482327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate (CID 175563660) is tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate is CCSCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate?
The InChIKey is LFKGCMDQTFTXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-6-14-8-7-11(5)9(12)13-10(2,3)4/h6-8H2,1-5H3.
What are the key properties of tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate?
tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate has a molecular weight of 219.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate is sourced from PubChem (CID 175563660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).