N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide

C12H16N2O3S — CID 83102887

IUPACN-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1cccs1
InChIInChI=1S/C12H16N2O3S/c1-13-12(16)9-8-17-5-4-14(9)7-10(15)11-3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,16)
InChIKeyLUWXFKPCIBCECN-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.38
Rot. Bonds4

About N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide

N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide (PubChem CID 83102887) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
PubChem CID83102887
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1cccs1
InChIInChI=1S/C12H16N2O3S/c1-13-12(16)9-8-17-5-4-14(9)7-10(15)11-3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,16)
InChIKeyLUWXFKPCIBCECN-UHFFFAOYSA-N
XLogP0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103891
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102101
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
4-[3-(4-fluorophenyl)-2-oxopropyl]-N-methylmorpholine-3-carboxamide
CID 83101284
1-thiophen-2-yl-2-[4-(trimethylsilylmethyl)morpholin-3-yl]ethanone
CID 75478811

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide?
The IUPAC name of N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide (CID 83102887) is N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide?
The canonical SMILES for N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide is CNC(=O)C1COCCN1CC(=O)c1cccs1.
What is the InChIKey of N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide?
The InChIKey is LUWXFKPCIBCECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-13-12(16)9-8-17-5-4-14(9)7-10(15)11-3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,16).
What are the key properties of N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide?
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide is sourced from PubChem (CID 83102887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).