2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone

C11H19NO2S — CID 111430649

IUPAC2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1(O)CCCC1)N1CCSCC1
InChIInChI=1S/C11H19NO2S/c13-10(12-5-7-15-8-6-12)9-11(14)3-1-2-4-11/h14H,1-9H2
InChIKeyISCYYGJNVNSVFU-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.26
Rot. Bonds2

About 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone

2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone (PubChem CID 111430649) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone
PubChem CID111430649
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1(O)CCCC1)N1CCSCC1
InChIInChI=1S/C11H19NO2S/c13-10(12-5-7-15-8-6-12)9-11(14)3-1-2-4-11/h14H,1-9H2
InChIKeyISCYYGJNVNSVFU-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone (CID 111430649) is 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone is O=C(CC1(O)CCCC1)N1CCSCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone?
The InChIKey is ISCYYGJNVNSVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-10(12-5-7-15-8-6-12)9-11(14)3-1-2-4-11/h14H,1-9H2.
What are the key properties of 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone?
2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone has a molecular weight of 229.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 111430649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).