(1-hydroxycyclopentyl) sulfite

C5H9O4S- — CID 3642514

IUPAC(1-hydroxycyclopentyl) sulfite
SMILESO=S([O-])OC1(O)CCCC1
InChIInChI=1S/C5H10O4S/c6-5(9-10(7)8)3-1-2-4-5/h6H,1-4H2,(H,7,8)/p-1
InChIKeyCZCYGBBFJKJTPD-UHFFFAOYSA-M
MW165.19 g/mol
LogP0.06
Rot. Bonds2

About (1-hydroxycyclopentyl) sulfite

(1-hydroxycyclopentyl) sulfite (PubChem CID 3642514) has the molecular formula C5H9O4S- and a molecular weight of 165.19 g/mol. Its IUPAC name is (1-hydroxycyclopentyl) sulfite.

Molecular Properties

Compound Name(1-hydroxycyclopentyl) sulfite
PubChem CID3642514
Molecular FormulaC5H9O4S-
Molecular Weight165.19 g/mol
Exact Mass165.02
IUPAC Name(1-hydroxycyclopentyl) sulfite
SMILESO=S([O-])OC1(O)CCCC1
InChIInChI=1S/C5H10O4S/c6-5(9-10(7)8)3-1-2-4-5/h6H,1-4H2,(H,7,8)/p-1
InChIKeyCZCYGBBFJKJTPD-UHFFFAOYSA-M
XLogP0.06
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopentyl) sulfite?
The IUPAC name of (1-hydroxycyclopentyl) sulfite (CID 3642514) is (1-hydroxycyclopentyl) sulfite.
What is the SMILES notation for (1-hydroxycyclopentyl) sulfite?
The canonical SMILES for (1-hydroxycyclopentyl) sulfite is O=S([O-])OC1(O)CCCC1.
What is the InChIKey of (1-hydroxycyclopentyl) sulfite?
The InChIKey is CZCYGBBFJKJTPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O4S/c6-5(9-10(7)8)3-1-2-4-5/h6H,1-4H2,(H,7,8)/p-1.
What are the key properties of (1-hydroxycyclopentyl) sulfite?
(1-hydroxycyclopentyl) sulfite has a molecular weight of 165.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopentyl) sulfite is sourced from PubChem (CID 3642514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).