N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide

C11H20N2O2S — CID 66421817

IUPACN-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCOCC1
InChIInChI=1S/C11H20N2O2S/c14-11(7-10-8-16-6-3-12-10)13-9-1-4-15-5-2-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyJQDXVDDRRUJXQF-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.38
Rot. Bonds3

About N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide

N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66421817) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66421817
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCOCC1
InChIInChI=1S/C11H20N2O2S/c14-11(7-10-8-16-6-3-12-10)13-9-1-4-15-5-2-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyJQDXVDDRRUJXQF-UHFFFAOYSA-N
XLogP0.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide (CID 66421817) is N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is JQDXVDDRRUJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-11(7-10-8-16-6-3-12-10)13-9-1-4-15-5-2-9/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide?
N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 244.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).