[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium

C16H26N3O2S+ — CID 8000368

IUPAC[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H25N3O2S/c1-4-19(5-2)12-6-7-14(3)18-22(20,21)16-10-8-15(13-17)9-11-16/h8-11,14,18H,4-7,12H2,1-3H3/p+1/t14-/m0/s1
InChIKeyKYVFHJDRNVCFSM-AWEZNQCLSA-O
MW324.47 g/mol
LogP0.93
Rot. Bonds9

About [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium

[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium (PubChem CID 8000368) has the molecular formula C16H26N3O2S+ and a molecular weight of 324.47 g/mol. Its IUPAC name is [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium.

Molecular Properties

Compound Name[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
PubChem CID8000368
Molecular FormulaC16H26N3O2S+
Molecular Weight324.47 g/mol
Exact Mass324.17
IUPAC Name[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H25N3O2S/c1-4-19(5-2)12-6-7-14(3)18-22(20,21)16-10-8-15(13-17)9-11-16/h8-11,14,18H,4-7,12H2,1-3H3/p+1/t14-/m0/s1
InChIKeyKYVFHJDRNVCFSM-AWEZNQCLSA-O
XLogP0.93
TPSA74.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-[(4S)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987249
diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987247
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716813
[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716847
4-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662739
4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113239018
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 47392283
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
4-(cyanomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 79185646
4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
CID 25047906

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium?
The IUPAC name of [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium (CID 8000368) is [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium.
What is the SMILES notation for [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium?
The canonical SMILES for [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium is CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium?
The InChIKey is KYVFHJDRNVCFSM-AWEZNQCLSA-O. The full InChI is InChI=1S/C16H25N3O2S/c1-4-19(5-2)12-6-7-14(3)18-22(20,21)16-10-8-15(13-17)9-11-16/h8-11,14,18H,4-7,12H2,1-3H3/p+1/t14-/m0/s1.
What are the key properties of [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium?
[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium has a molecular weight of 324.47 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium is sourced from PubChem (CID 8000368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).