2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium

C14H26N4O3S+2 — CID 8000284

IUPAC2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH2+]CC[NH+](C)C)cc1
InChIInChI=1S/C14H24N4O3S/c1-17(2)10-9-15-11-14(19)16-12-5-7-13(8-6-12)22(20,21)18(3)4/h5-8,15H,9-11H2,1-4H3,(H,16,19)/p+2
InChIKeyDEMQKOYPVWBKGZ-UHFFFAOYSA-P
MW330.45 g/mol
LogP-2.42
Rot. Bonds8

About 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium

2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium (PubChem CID 8000284) has the molecular formula C14H26N4O3S+2 and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium
PubChem CID8000284
Molecular FormulaC14H26N4O3S+2
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC Name2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH2+]CC[NH+](C)C)cc1
InChIInChI=1S/C14H24N4O3S/c1-17(2)10-9-15-11-14(19)16-12-5-7-13(8-6-12)22(20,21)18(3)4/h5-8,15H,9-11H2,1-4H3,(H,16,19)/p+2
InChIKeyDEMQKOYPVWBKGZ-UHFFFAOYSA-P
XLogP-2.42
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897553
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 2082690
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919420
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9289313
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 2672822

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium?
The IUPAC name of 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium (CID 8000284) is 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium?
The canonical SMILES for 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium is CN(C)S(=O)(=O)c1ccc(NC(=O)C[NH2+]CC[NH+](C)C)cc1.
What is the InChIKey of 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium?
The InChIKey is DEMQKOYPVWBKGZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H24N4O3S/c1-17(2)10-9-15-11-14(19)16-12-5-7-13(8-6-12)22(20,21)18(3)4/h5-8,15H,9-11H2,1-4H3,(H,16,19)/p+2.
What are the key properties of 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium?
2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium has a molecular weight of 330.45 g/mol, XLogP of -2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium is sourced from PubChem (CID 8000284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).