3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol

C6H16N2O6S — CID 58152070

IUPAC3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol
SMILESO=S(=O)(NCC(O)CO)NCC(O)CO
InChIInChI=1S/C6H16N2O6S/c9-3-5(11)1-7-15(13,14)8-2-6(12)4-10/h5-12H,1-4H2
InChIKeyVIJXNGCXGSIPCJ-UHFFFAOYSA-N
MW244.27 g/mol
LogP-3.88
Rot. Bonds8

About 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol

3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol (PubChem CID 58152070) has the molecular formula C6H16N2O6S and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol
PubChem CID58152070
Molecular FormulaC6H16N2O6S
Molecular Weight244.27 g/mol
Exact Mass244.07
IUPAC Name3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol
SMILESO=S(=O)(NCC(O)CO)NCC(O)CO
InChIInChI=1S/C6H16N2O6S/c9-3-5(11)1-7-15(13,14)8-2-6(12)4-10/h5-12H,1-4H2
InChIKeyVIJXNGCXGSIPCJ-UHFFFAOYSA-N
XLogP-3.88
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.27
LogP ≤ 5-3.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol?
The IUPAC name of 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol (CID 58152070) is 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol?
The canonical SMILES for 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol is O=S(=O)(NCC(O)CO)NCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol?
The InChIKey is VIJXNGCXGSIPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O6S/c9-3-5(11)1-7-15(13,14)8-2-6(12)4-10/h5-12H,1-4H2.
What are the key properties of 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol?
3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol has a molecular weight of 244.27 g/mol, XLogP of -3.88, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropylsulfamoylamino)propane-1,2-diol is sourced from PubChem (CID 58152070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).