1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene

C10H17N3O2S — CID 43297979

IUPAC1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene
SMILESCC(NS(=O)(=O)N(C)C)c1cccc(N)c1
InChIInChI=1S/C10H17N3O2S/c1-8(12-16(14,15)13(2)3)9-5-4-6-10(11)7-9/h4-8,12H,11H2,1-3H3
InChIKeyDGWYOXGFKLMDBE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.73
Rot. Bonds4

About 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene

1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene (PubChem CID 43297979) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene
PubChem CID43297979
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene
SMILESCC(NS(=O)(=O)N(C)C)c1cccc(N)c1
InChIInChI=1S/C10H17N3O2S/c1-8(12-16(14,15)13(2)3)9-5-4-6-10(11)7-9/h4-8,12H,11H2,1-3H3
InChIKeyDGWYOXGFKLMDBE-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 43593641
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297985
methyl 2-[1-(3-aminophenyl)ethylsulfamoyl]acetate
CID 61359928
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
ethyl 2-[1-(3-aminophenyl)ethylsulfamoyl]acetate
CID 61456809
N-[1-(3-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297962
N-[1-(3-aminophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 43297963
propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
CID 114461545
N-[1-(3-aminophenyl)ethyl]-2-bromo-4-fluorobenzenesulfonamide
CID 60822658
methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857119

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene?
The IUPAC name of 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene (CID 43297979) is 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene?
The canonical SMILES for 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene is CC(NS(=O)(=O)N(C)C)c1cccc(N)c1.
What is the InChIKey of 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene?
The InChIKey is DGWYOXGFKLMDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8(12-16(14,15)13(2)3)9-5-4-6-10(11)7-9/h4-8,12H,11H2,1-3H3.
What are the key properties of 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene?
1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene has a molecular weight of 243.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene is sourced from PubChem (CID 43297979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).