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

C12H21N3O2S — CID 54952251

IUPAC1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
SMILESCc1ccccc1CNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H21N3O2S/c1-11-6-3-4-7-12(11)10-14-18(16,17)15(2)9-5-8-13/h3-4,6-7,14H,5,8-10,13H2,1-2H3
InChIKeyFXENWVOLXVUCCJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.61
Rot. Bonds7

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

1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene (PubChem CID 54952251) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
PubChem CID54952251
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
SMILESCc1ccccc1CNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H21N3O2S/c1-11-6-3-4-7-12(11)10-14-18(16,17)15(2)9-5-8-13/h3-4,6-7,14H,5,8-10,13H2,1-2H3
InChIKeyFXENWVOLXVUCCJ-UHFFFAOYSA-N
XLogP0.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole
CID 54982746
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene
CID 61456274
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
2-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1,3-thiazole
CID 114129362
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
CID 102904867
1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene
CID 35309891
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-(difluoromethoxy)benzene
CID 86931192
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
CID 106083594
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene?
The IUPAC name of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene (CID 54952251) is 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene.
What is the SMILES notation for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene?
The canonical SMILES for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene is Cc1ccccc1CNS(=O)(=O)N(C)CCCN.
What is the InChIKey of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene?
The InChIKey is FXENWVOLXVUCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-11-6-3-4-7-12(11)10-14-18(16,17)15(2)9-5-8-13/h3-4,6-7,14H,5,8-10,13H2,1-2H3.
What are the key properties of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene?
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene has a molecular weight of 271.39 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene is sourced from PubChem (CID 54952251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).