2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid

C14H20N2O4S — CID 102744842

IUPAC2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1(C)CN(C(=O)Nc2sccc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C14H20N2O4S/c1-13(2)7-16(8-14(3,4)20-13)12(19)15-10-9(11(17)18)5-6-21-10/h5-6H,7-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyDRIRVVJHMLLKEV-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.87
Rot. Bonds2

About 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid

2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 102744842) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID102744842
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1(C)CN(C(=O)Nc2sccc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C14H20N2O4S/c1-13(2)7-16(8-14(3,4)20-13)12(19)15-10-9(11(17)18)5-6-21-10/h5-6H,7-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyDRIRVVJHMLLKEV-UHFFFAOYSA-N
XLogP2.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 107223804
2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 107457208
2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113580
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759
2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 112626687
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63114341
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 114490360
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 66073512
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114630339
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid (CID 102744842) is 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid is CC1(C)CN(C(=O)Nc2sccc2C(=O)O)CC(C)(C)O1.
What is the InChIKey of 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is DRIRVVJHMLLKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-13(2)7-16(8-14(3,4)20-13)12(19)15-10-9(11(17)18)5-6-21-10/h5-6H,7-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 102744842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).