N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide

C13H20N2O2S — CID 110710235

IUPACN-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCN1CCOC(CNC(=O)CCc2cccs2)C1
InChIInChI=1S/C13H20N2O2S/c1-15-6-7-17-11(10-15)9-14-13(16)5-4-12-3-2-8-18-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16)
InChIKeyMIMCWYXUNJNMOE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.13
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide

N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 110710235) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID110710235
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCN1CCOC(CNC(=O)CCc2cccs2)C1
InChIInChI=1S/C13H20N2O2S/c1-15-6-7-17-11(10-15)9-14-13(16)5-4-12-3-2-8-18-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16)
InChIKeyMIMCWYXUNJNMOE-UHFFFAOYSA-N
XLogP1.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
CID 95303552
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 94823939
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793728
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793725
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292
3-(2-aminophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79079684
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 129323420
3-(cyclopropylamino)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79082583

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide (CID 110710235) is N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide is CN1CCOC(CNC(=O)CCc2cccs2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is MIMCWYXUNJNMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15-6-7-17-11(10-15)9-14-13(16)5-4-12-3-2-8-18-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide?
N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 268.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110710235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).