5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid

C13H18N2O4S — CID 83102863

IUPAC5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESCNC(=O)C1COCCN1Cc1cc(C(=O)O)sc1C
InChIInChI=1S/C13H18N2O4S/c1-8-9(5-11(20-8)13(17)18)6-15-3-4-19-7-10(15)12(16)14-2/h5,10H,3-4,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWFKUNZLCIGPPGQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.70
Rot. Bonds4

About 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid

5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 83102863) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
PubChem CID83102863
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESCNC(=O)C1COCCN1Cc1cc(C(=O)O)sc1C
InChIInChI=1S/C13H18N2O4S/c1-8-9(5-11(20-8)13(17)18)6-15-3-4-19-7-10(15)12(16)14-2/h5,10H,3-4,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWFKUNZLCIGPPGQ-UHFFFAOYSA-N
XLogP0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 83095890
4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 114481288
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
4-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylthiophene-2-carboxylic acid
CID 112748721
4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 112751291
5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 83102647
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
4-[(3-amino-5-bromophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 103350002

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (CID 83102863) is 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is CNC(=O)C1COCCN1Cc1cc(C(=O)O)sc1C.
What is the InChIKey of 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is WFKUNZLCIGPPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8-9(5-11(20-8)13(17)18)6-15-3-4-19-7-10(15)12(16)14-2/h5,10H,3-4,6-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 83102863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).