diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium

C16H29N2O3S+ — CID 7987247

IUPACdiethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O3S/c1-5-18(6-2)13-7-8-14(3)17-22(19,20)16-11-9-15(21-4)10-12-16/h9-12,14,17H,5-8,13H2,1-4H3/p+1/t14-/m1/s1
InChIKeyKKGJMWQWEGPEEO-CQSZACIVSA-O
MW329.49 g/mol
LogP1.07
Rot. Bonds10

About diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium

diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium (PubChem CID 7987247) has the molecular formula C16H29N2O3S+ and a molecular weight of 329.49 g/mol. Its IUPAC name is diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium.

Molecular Properties

Compound Namediethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
PubChem CID7987247
Molecular FormulaC16H29N2O3S+
Molecular Weight329.49 g/mol
Exact Mass329.19
IUPAC Namediethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O3S/c1-5-18(6-2)13-7-8-14(3)17-22(19,20)16-11-9-15(21-4)10-12-16/h9-12,14,17H,5-8,13H2,1-4H3/p+1/t14-/m1/s1
InChIKeyKKGJMWQWEGPEEO-CQSZACIVSA-O
XLogP1.07
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-[(4S)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987249
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8000368
[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716813
[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716847
N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
CID 65033930

Frequently Asked Questions

What is the IUPAC name of diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium?
The IUPAC name of diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium (CID 7987247) is diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium.
What is the SMILES notation for diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium?
The canonical SMILES for diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium is CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium?
The InChIKey is KKGJMWQWEGPEEO-CQSZACIVSA-O. The full InChI is InChI=1S/C16H28N2O3S/c1-5-18(6-2)13-7-8-14(3)17-22(19,20)16-11-9-15(21-4)10-12-16/h9-12,14,17H,5-8,13H2,1-4H3/p+1/t14-/m1/s1.
What are the key properties of diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium?
diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium has a molecular weight of 329.49 g/mol, XLogP of 1.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium is sourced from PubChem (CID 7987247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).