[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene

C11H19N3O2S — CID 119976145

IUPAC[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
SMILESCCN(C)S(=O)(=O)NCC(N)c1ccccc1
InChIInChI=1S/C11H19N3O2S/c1-3-14(2)17(15,16)13-9-11(12)10-7-5-4-6-8-10/h4-8,11,13H,3,9,12H2,1-2H3
InChIKeyCDCVTMFWUYTANZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.47
Rot. Bonds6

About [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene

[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene (PubChem CID 119976145) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene.

Molecular Properties

Compound Name[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
PubChem CID119976145
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
SMILESCCN(C)S(=O)(=O)NCC(N)c1ccccc1
InChIInChI=1S/C11H19N3O2S/c1-3-14(2)17(15,16)13-9-11(12)10-7-5-4-6-8-10/h4-8,11,13H,3,9,12H2,1-2H3
InChIKeyCDCVTMFWUYTANZ-UHFFFAOYSA-N
XLogP0.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene
CID 119976299
N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119976164
N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
CID 119972420
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
CID 79672706
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
CID 43605703
N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine
CID 63120930

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene?
The IUPAC name of [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene (CID 119976145) is [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene.
What is the SMILES notation for [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene?
The canonical SMILES for [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene is CCN(C)S(=O)(=O)NCC(N)c1ccccc1.
What is the InChIKey of [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene?
The InChIKey is CDCVTMFWUYTANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-14(2)17(15,16)13-9-11(12)10-7-5-4-6-8-10/h4-8,11,13H,3,9,12H2,1-2H3.
What are the key properties of [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene?
[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene has a molecular weight of 257.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene is sourced from PubChem (CID 119976145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).