ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate

C11H16FN3O4S — CID 114461411

IUPACethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCc1ccc(CN)cc1F
InChIInChI=1S/C11H16FN3O4S/c1-2-19-11(16)15-20(17,18)14-7-9-4-3-8(6-13)5-10(9)12/h3-5,14H,2,6-7,13H2,1H3,(H,15,16)
InChIKeyOZHLARVRBMFUFP-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.36
Rot. Bonds6

About ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate

ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate (PubChem CID 114461411) has the molecular formula C11H16FN3O4S and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate
PubChem CID114461411
Molecular FormulaC11H16FN3O4S
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC Nameethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCc1ccc(CN)cc1F
InChIInChI=1S/C11H16FN3O4S/c1-2-19-11(16)15-20(17,18)14-7-9-4-3-8(6-13)5-10(9)12/h3-5,14H,2,6-7,13H2,1H3,(H,15,16)
InChIKeyOZHLARVRBMFUFP-UHFFFAOYSA-N
XLogP0.36
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate (CID 114461411) is ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCc1ccc(CN)cc1F.
What is the InChIKey of ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate?
The InChIKey is OZHLARVRBMFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4S/c1-2-19-11(16)15-20(17,18)14-7-9-4-3-8(6-13)5-10(9)12/h3-5,14H,2,6-7,13H2,1H3,(H,15,16).
What are the key properties of ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate?
ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate is sourced from PubChem (CID 114461411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).