2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol

C6H16N2O2S — CID 164644258

IUPAC2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol
SMILES[H]N=S(C)(=O)N(C)C(C)(C)CO
InChIInChI=1S/C6H16N2O2S/c1-6(2,5-9)8(3)11(4,7)10/h7,9H,5H2,1-4H3
InChIKeyJTPXVHZDBMAJDY-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.28
Rot. Bonds3

About 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol

2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol (PubChem CID 164644258) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol
PubChem CID164644258
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol
SMILES[H]N=S(C)(=O)N(C)C(C)(C)CO
InChIInChI=1S/C6H16N2O2S/c1-6(2,5-9)8(3)11(4,7)10/h7,9H,5H2,1-4H3
InChIKeyJTPXVHZDBMAJDY-UHFFFAOYSA-N
XLogP0.28
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 115902733
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 115902698
2-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-1-ol
CID 113351311
N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide
CID 156566666
4-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113475560
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 113351327
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322
3-N-(1-hydroxy-2-methylpropan-2-yl)-3-N-methylbenzene-1,3-disulfonamide
CID 115902668
4-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 116527769
3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide
CID 113238914
5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 113475408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol (CID 164644258) is 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol is [H]N=S(C)(=O)N(C)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol?
The InChIKey is JTPXVHZDBMAJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(2,5-9)8(3)11(4,7)10/h7,9H,5H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol?
2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol has a molecular weight of 180.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(methylsulfonimidoyl)amino]propan-1-ol is sourced from PubChem (CID 164644258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).