N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide

C13H22N2O3S — CID 95125733

IUPACN,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide
SMILESC[C@@H](COc1ccccc1)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H22N2O3S/c1-12(11-18-13-7-5-4-6-8-13)14-9-10-19(16,17)15(2)3/h4-8,12,14H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyUURGDECNLSRRQJ-LBPRGKRZSA-N
MW286.40 g/mol
LogP0.93
Rot. Bonds8

About N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide

N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide (PubChem CID 95125733) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide
PubChem CID95125733
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide
SMILESC[C@@H](COc1ccccc1)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H22N2O3S/c1-12(11-18-13-7-5-4-6-8-13)14-9-10-19(16,17)15(2)3/h4-8,12,14H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyUURGDECNLSRRQJ-LBPRGKRZSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]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

2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide
CID 106334908
N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
CID 61168340
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715
N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide
CID 106335163
2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335143
N,N-dimethyl-3-[[2-(1-phenoxypropan-2-ylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 167975313
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62003809

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide (CID 95125733) is N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide is C[C@@H](COc1ccccc1)NCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide?
The InChIKey is UURGDECNLSRRQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-12(11-18-13-7-5-4-6-8-13)14-9-10-19(16,17)15(2)3/h4-8,12,14H,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide?
N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2S)-1-phenoxypropan-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 95125733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).