N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide

C20H28N2O2S — CID 94195074

IUPACN,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H28N2O2S/c1-15(2)18-8-6-17(7-9-18)14-21-16(3)19-10-12-20(13-11-19)25(23,24)22(4)5/h6-13,15-16,21H,14H2,1-5H3/t16-/m0/s1
InChIKeyBGMNXNZJEONVAW-INIZCTEOSA-N
MW360.52 g/mol
LogP3.91
Rot. Bonds7

About N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide

N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 94195074) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID94195074
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H28N2O2S/c1-15(2)18-8-6-17(7-9-18)14-21-16(3)19-10-12-20(13-11-19)25(23,24)22(4)5/h6-13,15-16,21H,14H2,1-5H3/t16-/m0/s1
InChIKeyBGMNXNZJEONVAW-INIZCTEOSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[1-[(3,4,5-trifluorophenyl)methylamino]ethyl]benzenesulfonamide
CID 119113191
4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 124515073
N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 71892205
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 129398374
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115896099
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide (CID 94195074) is N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide is CC(C)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is BGMNXNZJEONVAW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-15(2)18-8-6-17(7-9-18)14-21-16(3)19-10-12-20(13-11-19)25(23,24)22(4)5/h6-13,15-16,21H,14H2,1-5H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide?
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 94195074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).