1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene

C12H22N4O2S — CID 66658186

IUPAC1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene
SMILESCC(NCCN)c1cccc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C12H22N4O2S/c1-10(14-8-7-13)11-5-4-6-12(9-11)15-19(17,18)16(2)3/h4-6,9-10,14-15H,7-8,13H2,1-3H3
InChIKeyQFBCZQNGPMWTSM-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.51
Rot. Bonds7

About 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene

1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene (PubChem CID 66658186) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene
PubChem CID66658186
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene
SMILESCC(NCCN)c1cccc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C12H22N4O2S/c1-10(14-8-7-13)11-5-4-6-12(9-11)15-19(17,18)16(2)3/h4-6,9-10,14-15H,7-8,13H2,1-3H3
InChIKeyQFBCZQNGPMWTSM-UHFFFAOYSA-N
XLogP0.51
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
1-(2-aminopropyl)-3-(dimethylsulfamoylamino)benzene
CID 21327409
1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947673
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956
[3-[1-(2-aminoethylamino)ethyl]anilino]-(3-chloroanilino)methanol
CID 143901920
1-(dimethylsulfamoylamino)-3-iodobenzene
CID 60582672
1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
CID 112982256
1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene
CID 43297979
1-(2-bromoacetyl)-3-(dimethylsulfamoylamino)benzene
CID 18615270
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
N-[3-[1-[3-(4-fluorophenyl)prop-2-ynylamino]ethyl]phenyl]methanesulfonamide
CID 86803479

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene (CID 66658186) is 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene is CC(NCCN)c1cccc(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene?
The InChIKey is QFBCZQNGPMWTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(14-8-7-13)11-5-4-6-12(9-11)15-19(17,18)16(2)3/h4-6,9-10,14-15H,7-8,13H2,1-3H3.
What are the key properties of 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene?
1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene has a molecular weight of 286.40 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 66658186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).