1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene

C12H21N3O3S — CID 106031237

IUPAC1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C12H21N3O3S/c1-13-9-4-10-15(2)19(16,17)14-11-5-7-12(18-3)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyBVVHYMHMGWESEA-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.89
Rot. Bonds8

About 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene

1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106031237) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106031237
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C12H21N3O3S/c1-13-9-4-10-15(2)19(16,17)14-11-5-7-12(18-3)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyBVVHYMHMGWESEA-UHFFFAOYSA-N
XLogP0.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
CID 114132190
1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106053283
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
2-bromo-1-fluoro-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106078274
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
CID 106056051
2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106006630
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106056678
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106066650
2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106031702

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (CID 106031237) is 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is CNCCCN(C)S(=O)(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is BVVHYMHMGWESEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-13-9-4-10-15(2)19(16,17)14-11-5-7-12(18-3)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 287.38 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106031237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).