1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene

C11H19N3O2S — CID 43508162

IUPAC1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene
SMILESCNC(C)c1ccccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C11H19N3O2S/c1-9(12-2)10-7-5-6-8-11(10)13-17(15,16)14(3)4/h5-9,12-13H,1-4H3
InChIKeyVMGDNNXPTOYHRL-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.19
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene

1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene (PubChem CID 43508162) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene
PubChem CID43508162
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene
SMILESCNC(C)c1ccccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C11H19N3O2S/c1-9(12-2)10-7-5-6-8-11(10)13-17(15,16)14(3)4/h5-9,12-13H,1-4H3
InChIKeyVMGDNNXPTOYHRL-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455735
N-(tert-butylsulfamoyl)-2-[1-(methylamino)ethyl]aniline
CID 114807339
1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
CID 71851414
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
propan-2-yl 2-(dimethylsulfamoylamino)benzoate
CID 133062998
1-acetyl-2-(dimethylsulfamoylamino)benzene
CID 28788463
1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
CID 79369162
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126
2-(dimethylsulfamoylamino)benzenecarbothioamide
CID 28788437
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
CID 112982256
1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 35308399

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene (CID 43508162) is 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene is CNC(C)c1ccccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene?
The InChIKey is VMGDNNXPTOYHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(12-2)10-7-5-6-8-11(10)13-17(15,16)14(3)4/h5-9,12-13H,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene?
1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene has a molecular weight of 257.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene is sourced from PubChem (CID 43508162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).