[2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium

C11H17N2O4S+ — CID 143751190

IUPAC[2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CO)c([NH+]=O)c1
InChIInChI=1S/C11H16N2O4S/c1-7-4-8(2)11(10(5-7)12-15)18(16,17)13-9(3)6-14/h4-5,9,13-14H,6H2,1-3H3/p+1/t9-/m0/s1
InChIKeyMKMCUNRVOYSCSG-VIFPVBQESA-O
MW273.33 g/mol
LogP-0.56
Rot. Bonds5

About [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium

[2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium (PubChem CID 143751190) has the molecular formula C11H17N2O4S+ and a molecular weight of 273.33 g/mol. Its IUPAC name is [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium.

Molecular Properties

Compound Name[2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium
PubChem CID143751190
Molecular FormulaC11H17N2O4S+
Molecular Weight273.33 g/mol
Exact Mass273.09
IUPAC Name[2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CO)c([NH+]=O)c1
InChIInChI=1S/C11H16N2O4S/c1-7-4-8(2)11(10(5-7)12-15)18(16,17)13-9(3)6-14/h4-5,9,13-14H,6H2,1-3H3/p+1/t9-/m0/s1
InChIKeyMKMCUNRVOYSCSG-VIFPVBQESA-O
XLogP-0.56
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium 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-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-[(2R)-1-hydroxypropan-2-yl]-2,4,6-trimethyl-3-nitrobenzenesulfonamide
CID 104861889
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl] 2,4,6-trimethylbenzenesulfonate
CID 86629199
3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 93081295
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
methyl (2S)-4-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentanoate
CID 7371416
5-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 107215536
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium?
The IUPAC name of [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium (CID 143751190) is [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium.
What is the SMILES notation for [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium?
The canonical SMILES for [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium is Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CO)c([NH+]=O)c1.
What is the InChIKey of [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium?
The InChIKey is MKMCUNRVOYSCSG-VIFPVBQESA-O. The full InChI is InChI=1S/C11H16N2O4S/c1-7-4-8(2)11(10(5-7)12-15)18(16,17)13-9(3)6-14/h4-5,9,13-14H,6H2,1-3H3/p+1/t9-/m0/s1.
What are the key properties of [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium?
[2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium has a molecular weight of 273.33 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium is sourced from PubChem (CID 143751190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).