4-[1-(methylsulfamoylamino)ethyl]aniline

C9H15N3O2S — CID 114804323

IUPAC4-[1-(methylsulfamoylamino)ethyl]aniline
SMILESCNS(=O)(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C9H15N3O2S/c1-7(12-15(13,14)11-2)8-3-5-9(10)6-4-8/h3-7,11-12H,10H2,1-2H3
InChIKeyQXWVOCVYGIOWQM-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.38
Rot. Bonds4

About 4-[1-(methylsulfamoylamino)ethyl]aniline

4-[1-(methylsulfamoylamino)ethyl]aniline (PubChem CID 114804323) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-[1-(methylsulfamoylamino)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(methylsulfamoylamino)ethyl]aniline
PubChem CID114804323
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name4-[1-(methylsulfamoylamino)ethyl]aniline
SMILESCNS(=O)(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C9H15N3O2S/c1-7(12-15(13,14)11-2)8-3-5-9(10)6-4-8/h3-7,11-12H,10H2,1-2H3
InChIKeyQXWVOCVYGIOWQM-UHFFFAOYSA-N
XLogP0.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
CID 114461541
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932
N-[1-(4-aminophenyl)ethyl]-1-cyclopropylmethanesulfonamide
CID 64987899
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 116650244
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
1-(4-aminophenyl)ethylurea
CID 43298080
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylsulfamoylamino)ethyl]aniline?
The IUPAC name of 4-[1-(methylsulfamoylamino)ethyl]aniline (CID 114804323) is 4-[1-(methylsulfamoylamino)ethyl]aniline.
What is the SMILES notation for 4-[1-(methylsulfamoylamino)ethyl]aniline?
The canonical SMILES for 4-[1-(methylsulfamoylamino)ethyl]aniline is CNS(=O)(=O)NC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(methylsulfamoylamino)ethyl]aniline?
The InChIKey is QXWVOCVYGIOWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7(12-15(13,14)11-2)8-3-5-9(10)6-4-8/h3-7,11-12H,10H2,1-2H3.
What are the key properties of 4-[1-(methylsulfamoylamino)ethyl]aniline?
4-[1-(methylsulfamoylamino)ethyl]aniline has a molecular weight of 229.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylsulfamoylamino)ethyl]aniline is sourced from PubChem (CID 114804323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).