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

C15H21NO4S — CID 136550788

IUPAC5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCOCC1C1CCCO1
InChIInChI=1S/C15H21NO4S/c1-10-11(7-14(21-10)15(17)18)8-16-4-6-19-9-12(16)13-3-2-5-20-13/h7,12-13H,2-6,8-9H2,1H3,(H,17,18)
InChIKeySBFILXVZBXZOIS-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.13
Rot. Bonds4

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

5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 136550788) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
PubChem CID136550788
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCOCC1C1CCCO1
InChIInChI=1S/C15H21NO4S/c1-10-11(7-14(21-10)15(17)18)8-16-4-6-19-9-12(16)13-3-2-5-20-13/h7,12-13H,2-6,8-9H2,1H3,(H,17,18)
InChIKeySBFILXVZBXZOIS-UHFFFAOYSA-N
XLogP2.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (CID 136550788) is 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CN1CCOCC1C1CCCO1.
What is the InChIKey of 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is SBFILXVZBXZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-10-11(7-14(21-10)15(17)18)8-16-4-6-19-9-12(16)13-3-2-5-20-13/h7,12-13H,2-6,8-9H2,1H3,(H,17,18).
What are the key properties of 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[3-(oxolan-2-yl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 136550788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).