methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate

C11H17N3O5S — CID 114467010

IUPACmethyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate
SMILESCCOc1ccc(NS(=O)(=O)NC(=O)OC)cc1CN
InChIInChI=1S/C11H17N3O5S/c1-3-19-10-5-4-9(6-8(10)7-12)13-20(16,17)14-11(15)18-2/h4-6,13H,3,7,12H2,1-2H3,(H,14,15)
InChIKeyQQEUOYFUWFHPLH-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.56
Rot. Bonds6

About methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate

methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate (PubChem CID 114467010) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate
PubChem CID114467010
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Namemethyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate
SMILESCCOc1ccc(NS(=O)(=O)NC(=O)OC)cc1CN
InChIInChI=1S/C11H17N3O5S/c1-3-19-10-5-4-9(6-8(10)7-12)13-20(16,17)14-11(15)18-2/h4-6,13H,3,7,12H2,1-2H3,(H,14,15)
InChIKeyQQEUOYFUWFHPLH-UHFFFAOYSA-N
XLogP0.56
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide
CID 79593302
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815613
methyl N-[[4-(3-aminoprop-1-ynyl)-3-methylphenyl]sulfamoyl]carbamate
CID 114465787
methyl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466361
methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate
CID 107612728
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide
CID 63755308
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide
CID 47059390
1,2-diethoxy-4-(sulfamoylamino)benzene
CID 112573189

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate?
The IUPAC name of methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate (CID 114467010) is methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate?
The canonical SMILES for methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate is CCOc1ccc(NS(=O)(=O)NC(=O)OC)cc1CN.
What is the InChIKey of methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate?
The InChIKey is QQEUOYFUWFHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-3-19-10-5-4-9(6-8(10)7-12)13-20(16,17)14-11(15)18-2/h4-6,13H,3,7,12H2,1-2H3,(H,14,15).
What are the key properties of methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate?
methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate has a molecular weight of 303.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate is sourced from PubChem (CID 114467010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).