N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C12H20N2O2S — CID 68919996

IUPACN-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CN)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-8-5-9(2)12(10(3)6-8)17(15,16)14-11(4)7-13/h5-6,11,14H,7,13H2,1-4H3/t11-/m0/s1
InChIKeyZEHCKRLZHQEKNE-NSHDSACASA-N
MW256.37 g/mol
LogP1.24
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 68919996) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID68919996
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CN)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-8-5-9(2)12(10(3)6-8)17(15,16)14-11(4)7-13/h5-6,11,14H,7,13H2,1-4H3/t11-/m0/s1
InChIKeyZEHCKRLZHQEKNE-NSHDSACASA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 63732186
[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl] 2,4,6-trimethylbenzenesulfonate
CID 86629199
N-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
2,4,6-trimethyl-N-[1-[5-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]piperidin-3-yl]propan-2-yl]benzenesulfonamide
CID 70574893
methyl (2S)-4-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentanoate
CID 7371416
[2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium
CID 143751190
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 107328140

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 68919996) is N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CN)c(C)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is ZEHCKRLZHQEKNE-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-5-9(2)12(10(3)6-8)17(15,16)14-11(4)7-13/h5-6,11,14H,7,13H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 68919996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).