tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide

C9H19NO5S — CID 158416734

IUPACtert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
SMILESCOCCN(C)C(=O)OC(C)(C)C.O=S=O
InChIInChI=1S/C9H19NO3.O2S/c1-9(2,3)13-8(11)10(4)6-7-12-5;1-3-2/h6-7H2,1-5H3;
InChIKeyGZZJNGDFHRBPDN-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.83
Rot. Bonds3

About tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide

tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide (PubChem CID 158416734) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
PubChem CID158416734
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Nametert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
SMILESCOCCN(C)C(=O)OC(C)(C)C.O=S=O
InChIInChI=1S/C9H19NO3.O2S/c1-9(2,3)13-8(11)10(4)6-7-12-5;1-3-2/h6-7H2,1-5H3;
InChIKeyGZZJNGDFHRBPDN-UHFFFAOYSA-N
XLogP0.83
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
CID 166698146
tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
CID 175563660
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
2-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 139578947
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
CID 166521471
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide?
The IUPAC name of tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide (CID 158416734) is tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide.
What is the SMILES notation for tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide?
The canonical SMILES for tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide is COCCN(C)C(=O)OC(C)(C)C.O=S=O.
What is the InChIKey of tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide?
The InChIKey is GZZJNGDFHRBPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.O2S/c1-9(2,3)13-8(11)10(4)6-7-12-5;1-3-2/h6-7H2,1-5H3;.
What are the key properties of tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide?
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide has a molecular weight of 253.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide is sourced from PubChem (CID 158416734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).