[1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine

C10H19NO3S — CID 65050810

IUPAC[1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine
SMILESNCC1(OC2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C10H19NO3S/c11-8-10(4-1-2-5-10)14-9-3-6-15(12,13)7-9/h9H,1-8,11H2
InChIKeySXRHVFRSKVKREL-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.46
Rot. Bonds3

About [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine

[1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine (PubChem CID 65050810) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine
PubChem CID65050810
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine
SMILESNCC1(OC2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C10H19NO3S/c11-8-10(4-1-2-5-10)14-9-3-6-15(12,13)7-9/h9H,1-8,11H2
InChIKeySXRHVFRSKVKREL-UHFFFAOYSA-N
XLogP0.46
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine (CID 65050810) is [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine is NCC1(OC2CCS(=O)(=O)C2)CCCC1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine?
The InChIKey is SXRHVFRSKVKREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c11-8-10(4-1-2-5-10)14-9-3-6-15(12,13)7-9/h9H,1-8,11H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine?
[1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine has a molecular weight of 233.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)oxycyclopentyl]methanamine is sourced from PubChem (CID 65050810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).