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

C11H19N3O3S — CID 54952343

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
SMILESCOc1ccccc1NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H19N3O3S/c1-14(9-5-8-12)18(15,16)13-10-6-3-4-7-11(10)17-2/h3-4,6-7,13H,5,8-9,12H2,1-2H3
InChIKeyADGNBAYNLGFPRK-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.63
Rot. Bonds7

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

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene (PubChem CID 54952343) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
PubChem CID54952343
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
SMILESCOc1ccccc1NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H19N3O3S/c1-14(9-5-8-12)18(15,16)13-10-6-3-4-7-11(10)17-2/h3-4,6-7,13H,5,8-9,12H2,1-2H3
InChIKeyADGNBAYNLGFPRK-UHFFFAOYSA-N
XLogP0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
CID 106057875
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
CID 112739513
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline
CID 62782128
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine
CID 106076050
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene (CID 54952343) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene is COc1ccccc1NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene?
The InChIKey is ADGNBAYNLGFPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14(9-5-8-12)18(15,16)13-10-6-3-4-7-11(10)17-2/h3-4,6-7,13H,5,8-9,12H2,1-2H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene has a molecular weight of 273.36 g/mol, XLogP of 0.63, 7 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-methoxybenzene is sourced from PubChem (CID 54952343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).