1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene

C13H23N3O3S — CID 102904867

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
SMILESCOCCc1ccccc1NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C13H23N3O3S/c1-16(10-5-9-14)20(17,18)15-13-7-4-3-6-12(13)8-11-19-2/h3-4,6-7,15H,5,8-11,14H2,1-2H3
InChIKeyCKQOHONUUSAFNC-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.81
Rot. Bonds9

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene (PubChem CID 102904867) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
PubChem CID102904867
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
SMILESCOCCc1ccccc1NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C13H23N3O3S/c1-16(10-5-9-14)20(17,18)15-13-7-4-3-6-12(13)8-11-19-2/h3-4,6-7,15H,5,8-11,14H2,1-2H3
InChIKeyCKQOHONUUSAFNC-UHFFFAOYSA-N
XLogP0.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methoxyethyl)aniline
CID 15208917
Aniline, p-(2-(3-(diethylamino)propoxy)ethyl)-
CID 33691
2-(2-Methoxypropyl)aniline
CID 85901877
2-(2-methoxyethyl)-N-methylaniline
CID 102847266
2-[[3-Aminopropyl(methyl)sulfamoyl]amino]-4-fluoro-1-methylbenzene
CID 54952188
1-[[3-Aminopropyl(methyl)sulfamoyl]amino]-4-fluoro-2-methylbenzene
CID 54952394
2-(1-Amino-2-methoxyethyl)-4-fluoroaniline
CID 55293239
2-[(1S)-1-amino-2-methoxyethyl]-4-fluoroaniline
CID 55293406
2-[(1S)-1-amino-2-methoxyethyl]-5-fluoroaniline
CID 55293414
2-[(1S)-1-amino-2-methoxyethyl]-3-fluoroaniline
CID 55293416
2-(1-Amino-2-methoxyethyl)-5-fluoroaniline
CID 55293796
2-(1-Amino-2-methoxyethyl)-3-fluoroaniline
CID 55293798

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene (CID 102904867) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene is COCCc1ccccc1NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene?
The InChIKey is CKQOHONUUSAFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-16(10-5-9-14)20(17,18)15-13-7-4-3-6-12(13)8-11-19-2/h3-4,6-7,15H,5,8-11,14H2,1-2H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene has a molecular weight of 301.41 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene is sourced from PubChem (CID 102904867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).