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

C11H20N2O2S — CID 66420914

IUPACN-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCCOC1
InChIInChI=1S/C11H20N2O2S/c14-11(6-10-8-16-5-3-12-10)13-9-2-1-4-15-7-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyPGWIMTUCSWKKOO-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.38
Rot. Bonds3

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

N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420914) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420914
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCCOC1
InChIInChI=1S/C11H20N2O2S/c14-11(6-10-8-16-5-3-12-10)13-9-2-1-4-15-7-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyPGWIMTUCSWKKOO-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

Analyze N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66422198
N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 82728569
N-(oxan-3-yl)-2-piperidin-3-ylacetamide
CID 63361348
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942509
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide (CID 66420914) is N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1CCCOC1.
What is the InChIKey of N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is PGWIMTUCSWKKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-11(6-10-8-16-5-3-12-10)13-9-2-1-4-15-7-9/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide?
N-(oxan-3-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-3-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).