4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol

C9H17NO4S — CID 106940770

IUPAC4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol
SMILESNC1CCCC1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C9H17NO4S/c10-6-2-1-3-8(6)14-9-5-15(12,13)4-7(9)11/h6-9,11H,1-5,10H2
InChIKeyLFESPACWOCGLBJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.96
Rot. Bonds2

About 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol

4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol (PubChem CID 106940770) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol
PubChem CID106940770
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol
SMILESNC1CCCC1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C9H17NO4S/c10-6-2-1-3-8(6)14-9-5-15(12,13)4-7(9)11/h6-9,11H,1-5,10H2
InChIKeyLFESPACWOCGLBJ-UHFFFAOYSA-N
XLogP-0.96
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol (CID 106940770) is 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol is NC1CCCC1OC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol?
The InChIKey is LFESPACWOCGLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c10-6-2-1-3-8(6)14-9-5-15(12,13)4-7(9)11/h6-9,11H,1-5,10H2.
What are the key properties of 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol?
4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol has a molecular weight of 235.30 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopentyl)oxy-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 106940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).