benzyl N-amino-N-(2-methylsulfonylethyl)carbamate

C11H16N2O4S — CID 10492407

IUPACbenzyl N-amino-N-(2-methylsulfonylethyl)carbamate
SMILESCS(=O)(=O)CCN(N)C(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-18(15,16)8-7-13(12)11(14)17-9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3
InChIKeyIYFPZEVNLUANSX-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.54
Rot. Bonds5

About benzyl N-amino-N-(2-methylsulfonylethyl)carbamate

benzyl N-amino-N-(2-methylsulfonylethyl)carbamate (PubChem CID 10492407) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is benzyl N-amino-N-(2-methylsulfonylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-amino-N-(2-methylsulfonylethyl)carbamate
PubChem CID10492407
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namebenzyl N-amino-N-(2-methylsulfonylethyl)carbamate
SMILESCS(=O)(=O)CCN(N)C(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-18(15,16)8-7-13(12)11(14)17-9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3
InChIKeyIYFPZEVNLUANSX-UHFFFAOYSA-N
XLogP0.54
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
benzyl (2S)-2-amino-4-methylsulfonylbutanoate
CID 22869170
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
benzyl N-acetyl-N-aminocarbamate
CID 67604274
benzyl N-amino-N-[6-[(4-methoxyphenyl)sulfamoyl]hexyl]carbamate
CID 22475449
benzyl N-(3-chlorosulfonylpropyl)-N-methylcarbamate
CID 84715697
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-butan-2-yl-N-(2-chlorosulfonylethyl)carbamate
CID 101008171
benzyl N-benzyl-N-ethylcarbamate
CID 70968693

Frequently Asked Questions

What is the IUPAC name of benzyl N-amino-N-(2-methylsulfonylethyl)carbamate?
The IUPAC name of benzyl N-amino-N-(2-methylsulfonylethyl)carbamate (CID 10492407) is benzyl N-amino-N-(2-methylsulfonylethyl)carbamate.
What is the SMILES notation for benzyl N-amino-N-(2-methylsulfonylethyl)carbamate?
The canonical SMILES for benzyl N-amino-N-(2-methylsulfonylethyl)carbamate is CS(=O)(=O)CCN(N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-amino-N-(2-methylsulfonylethyl)carbamate?
The InChIKey is IYFPZEVNLUANSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-18(15,16)8-7-13(12)11(14)17-9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3.
What are the key properties of benzyl N-amino-N-(2-methylsulfonylethyl)carbamate?
benzyl N-amino-N-(2-methylsulfonylethyl)carbamate has a molecular weight of 272.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-amino-N-(2-methylsulfonylethyl)carbamate is sourced from PubChem (CID 10492407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).