[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium

C17H30N3O3S+ — CID 8649883

IUPAC[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-12-18-17(21)13-19-14(4)15-8-10-16(11-9-15)24(22,23)20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,18,21)/p+1/t14-/m0/s1
InChIKeyITHCVINKQHJVQA-AWEZNQCLSA-O
MW356.51 g/mol
LogP0.87
Rot. Bonds10

About [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium

[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 8649883) has the molecular formula C17H30N3O3S+ and a molecular weight of 356.51 g/mol. Its IUPAC name is [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
PubChem CID8649883
Molecular FormulaC17H30N3O3S+
Molecular Weight356.51 g/mol
Exact Mass356.20
IUPAC Name[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-12-18-17(21)13-19-14(4)15-8-10-16(11-9-15)24(22,23)20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,18,21)/p+1/t14-/m0/s1
InChIKeyITHCVINKQHJVQA-AWEZNQCLSA-O
XLogP0.87
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394045
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394040
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9393890
[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9394051
[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8651026
[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]azanium
CID 8650554
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
CID 9393814
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium
CID 8637227
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
CID 9336451

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The IUPAC name of [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium (CID 8649883) is [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium.
What is the SMILES notation for [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The canonical SMILES for [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The InChIKey is ITHCVINKQHJVQA-AWEZNQCLSA-O. The full InChI is InChI=1S/C17H29N3O3S/c1-5-12-18-17(21)13-19-14(4)15-8-10-16(11-9-15)24(22,23)20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3,(H,18,21)/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 356.51 g/mol, XLogP of 0.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 8649883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).