N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide

C14H24N2O3S — CID 79588864

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)CCO)c1ccccc1
InChIInChI=1S/C14H24N2O3S/c1-3-16(4-2)14(13-8-6-5-7-9-13)12-15-20(18,19)11-10-17/h5-9,14-15,17H,3-4,10-12H2,1-2H3
InChIKeyCBKCGFITXAYONR-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.98
Rot. Bonds9

About N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide

N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide (PubChem CID 79588864) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
PubChem CID79588864
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)CCO)c1ccccc1
InChIInChI=1S/C14H24N2O3S/c1-3-16(4-2)14(13-8-6-5-7-9-13)12-15-20(18,19)11-10-17/h5-9,14-15,17H,3-4,10-12H2,1-2H3
InChIKeyCBKCGFITXAYONR-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide 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-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 112503701
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
4-[[2-(diethylamino)-2-phenylethyl]sulfamoyl]benzamide
CID 86911832
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
CID 60568297
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide (CID 79588864) is N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide is CCN(CC)C(CNS(=O)(=O)CCO)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide?
The InChIKey is CBKCGFITXAYONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-16(4-2)14(13-8-6-5-7-9-13)12-15-20(18,19)11-10-17/h5-9,14-15,17H,3-4,10-12H2,1-2H3.
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide?
N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79588864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).