ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate

C11H15NO4S — CID 12963006

IUPACethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO4S/c1-4-16-11(13)12(3)17(14,15)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3
InChIKeyCXLBYPJSAWOYSI-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.77
Rot. Bonds3

About ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate

ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 12963006) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
PubChem CID12963006
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Nameethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO4S/c1-4-16-11(13)12(3)17(14,15)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3
InChIKeyCXLBYPJSAWOYSI-UHFFFAOYSA-N
XLogP1.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
CID 172776979
3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea
CID 15716436
ethyl N-(3-methylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 163464803
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
ethyl N-amino-N-[4-[4-[amino(ethoxycarbonyl)sulfamoyl]phenoxy]phenyl]sulfonylcarbamate
CID 54547701
ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate
CID 42874720
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
methyl (Z)-2-[methyl-(4-methylphenyl)sulfonylamino]hept-2-enoate
CID 134958732
ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
CID 61384357
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 139038475
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 102300698

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate (CID 12963006) is ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate is CCOC(=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is CXLBYPJSAWOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-16-11(13)12(3)17(14,15)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3.
What are the key properties of ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate?
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 257.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 12963006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).