6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide

C14H23N3O3S — CID 110839422

IUPAC6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide
SMILESNCCCCCC(=O)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H23N3O3S/c15-10-3-1-2-4-14(18)17-21(19,20)13-7-5-12(6-8-13)9-11-16/h5-8H,1-4,9-11,15-16H2,(H,17,18)
InChIKeyUDBAQEORAKFSIA-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.51
Rot. Bonds9

About 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide

6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide (PubChem CID 110839422) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide.

Molecular Properties

Compound Name6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide
PubChem CID110839422
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide
SMILESNCCCCCC(=O)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H23N3O3S/c15-10-3-1-2-4-14(18)17-21(19,20)13-7-5-12(6-8-13)9-11-16/h5-8H,1-4,9-11,15-16H2,(H,17,18)
InChIKeyUDBAQEORAKFSIA-UHFFFAOYSA-N
XLogP0.51
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
CID 110839455
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
(2,5-dioxopyrrolidin-1-yl) 4-(5-aminopentanoylsulfamoyl)benzoate
CID 177025196
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
4-amino-5-[[4-(2-aminoethyl)phenyl]sulfonylamino]-5-oxopentanoic acid
CID 110839428
4-(9-aminononyl)benzenesulfonic acid
CID 57192247
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide?
The IUPAC name of 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide (CID 110839422) is 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide.
What is the SMILES notation for 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide?
The canonical SMILES for 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide is NCCCCCC(=O)NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide?
The InChIKey is UDBAQEORAKFSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-10-3-1-2-4-14(18)17-21(19,20)13-7-5-12(6-8-13)9-11-16/h5-8H,1-4,9-11,15-16H2,(H,17,18).
What are the key properties of 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide?
6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide has a molecular weight of 313.42 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide is sourced from PubChem (CID 110839422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).