N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide

C19H32N4O2S — CID 4830934

IUPACN'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCCC2)c(/N=C/N(C)C)c1
InChIInChI=1S/C19H32N4O2S/c1-5-23(6-2)26(24,25)17-11-12-19(18(15-17)20-16-21(3)4)22-13-9-7-8-10-14-22/h11-12,15-16H,5-10,13-14H2,1-4H3/b20-16+
InChIKeyWNQKVSXXRLDSBV-CAPFRKAQSA-N
MW380.56 g/mol
LogP3.32
Rot. Bonds7

About N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide

N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide (PubChem CID 4830934) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide
PubChem CID4830934
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC NameN'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCCC2)c(/N=C/N(C)C)c1
InChIInChI=1S/C19H32N4O2S/c1-5-23(6-2)26(24,25)17-11-12-19(18(15-17)20-16-21(3)4)22-13-9-7-8-10-14-22/h11-12,15-16H,5-10,13-14H2,1-4H3/b20-16+
InChIKeyWNQKVSXXRLDSBV-CAPFRKAQSA-N
XLogP3.32
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]-N,N-diethyl-4-piperidin-1-ylbenzenesulfonamide
CID 4098640
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
CID 28795814
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]naphthalene-2-sulfonamide
CID 4826340
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 16543719
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323

Frequently Asked Questions

What is the IUPAC name of N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide (CID 4830934) is N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCCC2)c(/N=C/N(C)C)c1.
What is the InChIKey of N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is WNQKVSXXRLDSBV-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-5-23(6-2)26(24,25)17-11-12-19(18(15-17)20-16-21(3)4)22-13-9-7-8-10-14-22/h11-12,15-16H,5-10,13-14H2,1-4H3/b20-16+.
What are the key properties of N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide?
N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 380.56 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(azepan-1-yl)-5-(diethylsulfamoyl)phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 4830934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).