3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol

C6H15NO3S — CID 66781360

IUPAC3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol
SMILESOCCCN1CCCS1(O)O
InChIInChI=1S/C6H15NO3S/c8-5-1-3-7-4-2-6-11(7,9)10/h8-10H,1-6H2
InChIKeyKWMJHQJSKWVWAR-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.74
Rot. Bonds3

About 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol

3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol (PubChem CID 66781360) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol
PubChem CID66781360
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol
SMILESOCCCN1CCCS1(O)O
InChIInChI=1S/C6H15NO3S/c8-5-1-3-7-4-2-6-11(7,9)10/h8-10H,1-6H2
InChIKeyKWMJHQJSKWVWAR-UHFFFAOYSA-N
XLogP0.74
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol (CID 66781360) is 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol is OCCCN1CCCS1(O)O.
What is the InChIKey of 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol?
The InChIKey is KWMJHQJSKWVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c8-5-1-3-7-4-2-6-11(7,9)10/h8-10H,1-6H2.
What are the key properties of 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol?
3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol has a molecular weight of 181.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)propan-1-ol is sourced from PubChem (CID 66781360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).