ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate

C13H20N2O4S — CID 113066591

IUPACethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-3-19-13(16)14-9-10-15(20(2,17)18)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16)
InChIKeyRYEWBPKJGJFDFL-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.19
Rot. Bonds7

About ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate

ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate (PubChem CID 113066591) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
PubChem CID113066591
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-3-19-13(16)14-9-10-15(20(2,17)18)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16)
InChIKeyRYEWBPKJGJFDFL-UHFFFAOYSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706
methyl N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066983
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate
CID 113068338
ethyl 7-[methylsulfonyl-[[4-(2-phenylethyl)phenyl]methyl]amino]heptanoate
CID 54147844
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
CID 113055587

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate (CID 113066591) is ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate is CCOC(=O)NCCN(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate?
The InChIKey is RYEWBPKJGJFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-19-13(16)14-9-10-15(20(2,17)18)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate?
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate has a molecular weight of 300.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate is sourced from PubChem (CID 113066591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).