tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate

C15H26N4O4S — CID 114199969

IUPACtert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate
SMILESCN(C)S(=O)(=O)CCNc1cc(NC(=O)OC(C)(C)C)ccc1N
InChIInChI=1S/C15H26N4O4S/c1-15(2,3)23-14(20)18-11-6-7-12(16)13(10-11)17-8-9-24(21,22)19(4)5/h6-7,10,17H,8-9,16H2,1-5H3,(H,18,20)
InChIKeyKVNIGCHMHXSRMS-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.92
Rot. Bonds6

About tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate

tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate (PubChem CID 114199969) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate
PubChem CID114199969
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Nametert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate
SMILESCN(C)S(=O)(=O)CCNc1cc(NC(=O)OC(C)(C)C)ccc1N
InChIInChI=1S/C15H26N4O4S/c1-15(2,3)23-14(20)18-11-6-7-12(16)13(10-11)17-8-9-24(21,22)19(4)5/h6-7,10,17H,8-9,16H2,1-5H3,(H,18,20)
InChIKeyKVNIGCHMHXSRMS-UHFFFAOYSA-N
XLogP1.92
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-amino-3-(2,2,2-trifluoroethylamino)phenyl]carbamate
CID 171512326
tert-butyl N-[4-amino-3-[2-(3-methylbutoxy)ethylamino]phenyl]carbamate
CID 114199911
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
CID 104932877
tert-butyl N-[4-amino-3-(5-bromo-4-fluoro-2-methylanilino)phenyl]carbamate
CID 114199958
tert-butyl N-[2-(2-amino-5-fluoroanilino)ethyl]carbamate
CID 114518011
tert-butyl N-[2-(2-amino-5-methylsulfanylanilino)ethyl]carbamate
CID 59345536
tert-butyl N-[3-(2-aminoanilino)phenyl]carbamate
CID 129052010
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
chloromethyl 2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 165440698
tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
CID 178174217

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate (CID 114199969) is tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate is CN(C)S(=O)(=O)CCNc1cc(NC(=O)OC(C)(C)C)ccc1N.
What is the InChIKey of tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate?
The InChIKey is KVNIGCHMHXSRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-15(2,3)23-14(20)18-11-6-7-12(16)13(10-11)17-8-9-24(21,22)19(4)5/h6-7,10,17H,8-9,16H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate?
tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate has a molecular weight of 358.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[2-(dimethylsulfamoyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 114199969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).