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

C11H20N2O2S — CID 82728569

IUPACN-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC1OCCC1NC(=O)CC1CSCCN1
InChIInChI=1S/C11H20N2O2S/c1-8-10(2-4-15-8)13-11(14)6-9-7-16-5-3-12-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyBBPFFSCTNVUAOU-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.38
Rot. Bonds3

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

N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 82728569) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID82728569
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC1OCCC1NC(=O)CC1CSCCN1
InChIInChI=1S/C11H20N2O2S/c1-8-10(2-4-15-8)13-11(14)6-9-7-16-5-3-12-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyBBPFFSCTNVUAOU-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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Related Compounds

N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939516
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66420914
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
CID 119938410
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66422198
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide (CID 82728569) is N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide is CC1OCCC1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is BBPFFSCTNVUAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8-10(2-4-15-8)13-11(14)6-9-7-16-5-3-12-9/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide?
N-(2-methyloxolan-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-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 82728569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).