1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane

C4H12N2O4S — CID 130570533

IUPAC1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane
SMILESCN(C(CO)CO)S(N)(=O)=O
InChIInChI=1S/C4H12N2O4S/c1-6(11(5,9)10)4(2-7)3-8/h4,7-8H,2-3H2,1H3,(H2,5,9,10)
InChIKeyAHMKFOONVAKSFL-UHFFFAOYSA-N
MW184.22 g/mol
LogP-2.53
Rot. Bonds4

About 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane

1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane (PubChem CID 130570533) has the molecular formula C4H12N2O4S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane
PubChem CID130570533
Molecular FormulaC4H12N2O4S
Molecular Weight184.22 g/mol
Exact Mass184.05
IUPAC Name1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane
SMILESCN(C(CO)CO)S(N)(=O)=O
InChIInChI=1S/C4H12N2O4S/c1-6(11(5,9)10)4(2-7)3-8/h4,7-8H,2-3H2,1H3,(H2,5,9,10)
InChIKeyAHMKFOONVAKSFL-UHFFFAOYSA-N
XLogP-2.53
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-2.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane?
The IUPAC name of 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane (CID 130570533) is 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane.
What is the SMILES notation for 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane?
The canonical SMILES for 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane is CN(C(CO)CO)S(N)(=O)=O.
What is the InChIKey of 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane?
The InChIKey is AHMKFOONVAKSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4S/c1-6(11(5,9)10)4(2-7)3-8/h4,7-8H,2-3H2,1H3,(H2,5,9,10).
What are the key properties of 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane?
1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane has a molecular weight of 184.22 g/mol, XLogP of -2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-2-[methyl(sulfamoyl)amino]propane is sourced from PubChem (CID 130570533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).