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

C17H30N3O3S+ — CID 8716813

IUPAC[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-20(6-2)13-7-8-14(3)19-24(22,23)17-11-9-16(10-12-17)18-15(4)21/h9-12,14,19H,5-8,13H2,1-4H3,(H,18,21)/p+1/t14-/m0/s1
InChIKeyBSVORKLVBUYZIG-AWEZNQCLSA-O
MW356.51 g/mol
LogP1.02
Rot. Bonds10

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

[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium (PubChem CID 8716813) has the molecular formula C17H30N3O3S+ and a molecular weight of 356.51 g/mol. Its IUPAC name is [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium.

Molecular Properties

Compound Name[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
PubChem CID8716813
Molecular FormulaC17H30N3O3S+
Molecular Weight356.51 g/mol
Exact Mass356.20
IUPAC Name[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-20(6-2)13-7-8-14(3)19-24(22,23)17-11-9-16(10-12-17)18-15(4)21/h9-12,14,19H,5-8,13H2,1-4H3,(H,18,21)/p+1/t14-/m0/s1
InChIKeyBSVORKLVBUYZIG-AWEZNQCLSA-O
XLogP1.02
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
diethyl-[(4S)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987249
diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987247
[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8000368
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716847
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide
CID 106898784
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium?
The IUPAC name of [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium (CID 8716813) is [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium.
What is the SMILES notation for [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium?
The canonical SMILES for [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium is CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium?
The InChIKey is BSVORKLVBUYZIG-AWEZNQCLSA-O. The full InChI is InChI=1S/C17H29N3O3S/c1-5-20(6-2)13-7-8-14(3)19-24(22,23)17-11-9-16(10-12-17)18-15(4)21/h9-12,14,19H,5-8,13H2,1-4H3,(H,18,21)/p+1/t14-/m0/s1.
What are the key properties of [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium?
[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium has a molecular weight of 356.51 g/mol, XLogP of 1.02, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium is sourced from PubChem (CID 8716813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).