5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid

C10H14N2O3S — CID 103261043

IUPAC5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNN2CCOCC2)s1
InChIInChI=1S/C10H14N2O3S/c13-10(14)9-2-1-8(16-9)7-11-12-3-5-15-6-4-12/h1-2,11H,3-7H2,(H,13,14)
InChIKeyBGNASFYSRUPVSI-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.78
Rot. Bonds4

About 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid

5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103261043) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103261043
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNN2CCOCC2)s1
InChIInChI=1S/C10H14N2O3S/c13-10(14)9-2-1-8(16-9)7-11-12-3-5-15-6-4-12/h1-2,11H,3-7H2,(H,13,14)
InChIKeyBGNASFYSRUPVSI-UHFFFAOYSA-N
XLogP0.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(methoxymethyl)thiophen-2-yl]methyl]morpholin-4-amine
CID 53273822
5-[[[2-(oxan-4-yl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110815
5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103242542
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
CID 103238535
2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
CID 103261035
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106102577
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
CID 103244365
4-[(morpholin-4-ylamino)methyl]benzamide
CID 83012003
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103237529

Frequently Asked Questions

What is the IUPAC name of 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid (CID 103261043) is 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNN2CCOCC2)s1.
What is the InChIKey of 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is BGNASFYSRUPVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-10(14)9-2-1-8(16-9)7-11-12-3-5-15-6-4-12/h1-2,11H,3-7H2,(H,13,14).
What are the key properties of 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid?
5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103261043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).