3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline

C11H19N3O2S — CID 114810494

IUPAC3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
SMILESCCNCc1cccc(NS(=O)(=O)NCC)c1
InChIInChI=1S/C11H19N3O2S/c1-3-12-9-10-6-5-7-11(8-10)14-17(15,16)13-4-2/h5-8,12-14H,3-4,9H2,1-2H3
InChIKeySRWLPAJUDLFHLR-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.06
Rot. Bonds7

About 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline

3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline (PubChem CID 114810494) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
PubChem CID114810494
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
SMILESCCNCc1cccc(NS(=O)(=O)NCC)c1
InChIInChI=1S/C11H19N3O2S/c1-3-12-9-10-6-5-7-11(8-10)14-17(15,16)13-4-2/h5-8,12-14H,3-4,9H2,1-2H3
InChIKeySRWLPAJUDLFHLR-UHFFFAOYSA-N
XLogP1.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
CID 43606250
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411
N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104710205
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 79998136
3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811666
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
1-[3-(ethylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 106063587
N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119438206

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline?
The IUPAC name of 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline (CID 114810494) is 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline.
What is the SMILES notation for 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline?
The canonical SMILES for 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline is CCNCc1cccc(NS(=O)(=O)NCC)c1.
What is the InChIKey of 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline?
The InChIKey is SRWLPAJUDLFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-12-9-10-6-5-7-11(8-10)14-17(15,16)13-4-2/h5-8,12-14H,3-4,9H2,1-2H3.
What are the key properties of 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline?
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline has a molecular weight of 257.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline is sourced from PubChem (CID 114810494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).