1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane

C6H16N2O4S — CID 87213097

IUPAC1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane
SMILESNS(=O)(=O)N(CCCO)CCCO
InChIInChI=1S/C6H16N2O4S/c7-13(11,12)8(3-1-5-9)4-2-6-10/h9-10H,1-6H2,(H2,7,11,12)
InChIKeyQYSMUNQTYHDVMX-UHFFFAOYSA-N
MW212.27 g/mol
LogP-1.74
Rot. Bonds7

About 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane

1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane (PubChem CID 87213097) has the molecular formula C6H16N2O4S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane
PubChem CID87213097
Molecular FormulaC6H16N2O4S
Molecular Weight212.27 g/mol
Exact Mass212.08
IUPAC Name1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane
SMILESNS(=O)(=O)N(CCCO)CCCO
InChIInChI=1S/C6H16N2O4S/c7-13(11,12)8(3-1-5-9)4-2-6-10/h9-10H,1-6H2,(H2,7,11,12)
InChIKeyQYSMUNQTYHDVMX-UHFFFAOYSA-N
XLogP-1.74
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane?
The IUPAC name of 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane (CID 87213097) is 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane.
What is the SMILES notation for 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane?
The canonical SMILES for 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane is NS(=O)(=O)N(CCCO)CCCO.
What is the InChIKey of 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane?
The InChIKey is QYSMUNQTYHDVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S/c7-13(11,12)8(3-1-5-9)4-2-6-10/h9-10H,1-6H2,(H2,7,11,12).
What are the key properties of 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane?
1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane has a molecular weight of 212.27 g/mol, XLogP of -1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane is sourced from PubChem (CID 87213097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).