2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid

C13H19N3O4S — CID 63114115

IUPAC2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NCCCN1CCOCC1)Nc1sccc1C(=O)O
InChIInChI=1S/C13H19N3O4S/c17-12(18)10-2-9-21-11(10)15-13(19)14-3-1-4-16-5-7-20-8-6-16/h2,9H,1,3-8H2,(H,17,18)(H2,14,15,19)
InChIKeyZQFRMPZRXMHAAI-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.29
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid

2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 63114115) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID63114115
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NCCCN1CCOCC1)Nc1sccc1C(=O)O
InChIInChI=1S/C13H19N3O4S/c17-12(18)10-2-9-21-11(10)15-13(19)14-3-1-4-16-5-7-20-8-6-16/h2,9H,1,3-8H2,(H,17,18)(H2,14,15,19)
InChIKeyZQFRMPZRXMHAAI-UHFFFAOYSA-N
XLogP1.29
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-pyrrolidin-1-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113931
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid
CID 107318257
2-[3-(methanesulfonamido)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106340230
2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106049277
2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 83203568
5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxylic acid
CID 150007677

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid (CID 63114115) is 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid is O=C(NCCCN1CCOCC1)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is ZQFRMPZRXMHAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-12(18)10-2-9-21-11(10)15-13(19)14-3-1-4-16-5-7-20-8-6-16/h2,9H,1,3-8H2,(H,17,18)(H2,14,15,19).
What are the key properties of 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid?
2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63114115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).