[2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate

C17H21N3O3S — CID 124926749

IUPAC[2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate
SMILESCN(C)c1ccc(/C=N/c2ccccc2OS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H21N3O3S/c1-19(2)15-11-9-14(10-12-15)13-18-16-7-5-6-8-17(16)23-24(21,22)20(3)4/h5-13H,1-4H3/b18-13+
InChIKeyLEISAOMMMFURNS-QGOAFFKASA-N
MW347.44 g/mol
LogP2.69
Rot. Bonds6

About [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate

[2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate (PubChem CID 124926749) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate
PubChem CID124926749
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name[2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate
SMILESCN(C)c1ccc(/C=N/c2ccccc2OS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H21N3O3S/c1-19(2)15-11-9-14(10-12-15)13-18-16-7-5-6-8-17(16)23-24(21,22)20(3)4/h5-13H,1-4H3/b18-13+
InChIKeyLEISAOMMMFURNS-QGOAFFKASA-N
XLogP2.69
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[8-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-N,N-dimethylaniline
CID 172965274
(NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride
CID 12773541
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
1-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
CID 102299449
sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide
CID 88679243
[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone
CID 139072228
N-[4-[(2-methoxyphenyl)iminomethyl]phenyl]acetamide
CID 102509631
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
2-[(Z)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135478785
4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methyl-N-phenylacetamide
CID 6892641
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate (CID 124926749) is [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate is CN(C)c1ccc(/C=N/c2ccccc2OS(=O)(=O)N(C)C)cc1.
What is the InChIKey of [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate?
The InChIKey is LEISAOMMMFURNS-QGOAFFKASA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-19(2)15-11-9-14(10-12-15)13-18-16-7-5-6-8-17(16)23-24(21,22)20(3)4/h5-13H,1-4H3/b18-13+.
What are the key properties of [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate?
[2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate has a molecular weight of 347.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 124926749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).