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

C6H16N2O3S — CID 62333145

IUPAC1-[dimethylsulfamoyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H16N2O3S/c1-6(9)5-8(4)12(10,11)7(2)3/h6,9H,5H2,1-4H3
InChIKeyPBEAFXWGMHDECY-UHFFFAOYSA-N
MW196.27 g/mol
LogP-0.89
Rot. Bonds4

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

1-[dimethylsulfamoyl(methyl)amino]propan-2-ol (PubChem CID 62333145) has the molecular formula C6H16N2O3S and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[dimethylsulfamoyl(methyl)amino]propan-2-ol
PubChem CID62333145
Molecular FormulaC6H16N2O3S
Molecular Weight196.27 g/mol
Exact Mass196.09
IUPAC Name1-[dimethylsulfamoyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H16N2O3S/c1-6(9)5-8(4)12(10,11)7(2)3/h6,9H,5H2,1-4H3
InChIKeyPBEAFXWGMHDECY-UHFFFAOYSA-N
XLogP-0.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol (CID 62333145) is 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol is CC(O)CN(C)S(=O)(=O)N(C)C.
What is the InChIKey of 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol?
The InChIKey is PBEAFXWGMHDECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3S/c1-6(9)5-8(4)12(10,11)7(2)3/h6,9H,5H2,1-4H3.
What are the key properties of 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol?
1-[dimethylsulfamoyl(methyl)amino]propan-2-ol has a molecular weight of 196.27 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylsulfamoyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 62333145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).