4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide

C13H20N2O3S — CID 106435490

IUPAC4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCC(O)c2ccsc2)CCOCC1
InChIInChI=1S/C13H20N2O3S/c14-9-13(2-4-18-5-3-13)12(17)15-7-11(16)10-1-6-19-8-10/h1,6,8,11,16H,2-5,7,9,14H2,(H,15,17)
InChIKeyZDJBECBNZZAJAC-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.65
Rot. Bonds5

About 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide (PubChem CID 106435490) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
PubChem CID106435490
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCC(O)c2ccsc2)CCOCC1
InChIInChI=1S/C13H20N2O3S/c14-9-13(2-4-18-5-3-13)12(17)15-7-11(16)10-1-6-19-8-10/h1,6,8,11,16H,2-5,7,9,14H2,(H,15,17)
InChIKeyZDJBECBNZZAJAC-UHFFFAOYSA-N
XLogP0.65
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide (CID 106435490) is 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide is NCC1(C(=O)NCC(O)c2ccsc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide?
The InChIKey is ZDJBECBNZZAJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-9-13(2-4-18-5-3-13)12(17)15-7-11(16)10-1-6-19-8-10/h1,6,8,11,16H,2-5,7,9,14H2,(H,15,17).
What are the key properties of 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 106435490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).