N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide

C11H17NO3S — CID 111448440

IUPACN-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-2-16(14,15)12-11(8-9-13)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyMNCSKKGMMUCKRU-LLVKDONJSA-N
MW243.33 g/mol
LogP1.05
Rot. Bonds6

About N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide

N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide (PubChem CID 111448440) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
PubChem CID111448440
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-2-16(14,15)12-11(8-9-13)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyMNCSKKGMMUCKRU-LLVKDONJSA-N
XLogP1.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide
CID 111448439
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
CID 75387205
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylpropane-1-sulfonamide
CID 107863620
N-(1,4-diphenylbutyl)propane-1-sulfonamide
CID 60580802
N-benzhydryl-2-hydroxyethanesulfonamide
CID 79589039
2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
CID 107862097
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
2-(ethylsulfonylamino)-2-phenylethanethioamide
CID 61121905
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide (CID 111448440) is N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide is CCS(=O)(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide?
The InChIKey is MNCSKKGMMUCKRU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-16(14,15)12-11(8-9-13)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide?
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide is sourced from PubChem (CID 111448440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).