propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate

C12H19N3O4S — CID 114464725

IUPACpropan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCc1ccccc1CN
InChIInChI=1S/C12H19N3O4S/c1-9(2)19-12(16)15-20(17,18)14-8-11-6-4-3-5-10(11)7-13/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyIWLYUTOTKLLQLH-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.61
Rot. Bonds6

About propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate

propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate (PubChem CID 114464725) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
PubChem CID114464725
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Namepropan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCc1ccccc1CN
InChIInChI=1S/C12H19N3O4S/c1-9(2)19-12(16)15-20(17,18)14-8-11-6-4-3-5-10(11)7-13/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyIWLYUTOTKLLQLH-UHFFFAOYSA-N
XLogP0.61
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate (CID 114464725) is propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCc1ccccc1CN.
What is the InChIKey of propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate?
The InChIKey is IWLYUTOTKLLQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9(2)19-12(16)15-20(17,18)14-8-11-6-4-3-5-10(11)7-13/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate?
propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate has a molecular weight of 301.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate is sourced from PubChem (CID 114464725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).