N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide

C17H30N2O3S — CID 97233261

IUPACN,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)CCCO)cc1
InChIInChI=1S/C17H30N2O3S/c1-5-19(6-2)23(21,22)17-11-9-16(10-12-17)15(4)18-14(3)8-7-13-20/h9-12,14-15,18,20H,5-8,13H2,1-4H3/t14-,15-/m1/s1
InChIKeyOGQVPVIZAMABIP-HUUCEWRRSA-N
MW342.51 g/mol
LogP2.53
Rot. Bonds10

About N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide

N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 97233261) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID97233261
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC NameN,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)CCCO)cc1
InChIInChI=1S/C17H30N2O3S/c1-5-19(6-2)23(21,22)17-11-9-16(10-12-17)15(4)18-14(3)8-7-13-20/h9-12,14-15,18,20H,5-8,13H2,1-4H3/t14-,15-/m1/s1
InChIKeyOGQVPVIZAMABIP-HUUCEWRRSA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
methyl N-[(2R)-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanoyl]carbamate
CID 8650979
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650158
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide (CID 97233261) is N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)CCCO)cc1.
What is the InChIKey of N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is OGQVPVIZAMABIP-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-5-19(6-2)23(21,22)17-11-9-16(10-12-17)15(4)18-14(3)8-7-13-20/h9-12,14-15,18,20H,5-8,13H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide?
N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 342.51 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97233261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).