N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide

C13H20N2O3S — CID 111720032

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCC(C)(O)c2ccsc2)C1
InChIInChI=1S/C13H20N2O3S/c1-13(17,10-3-6-19-8-10)9-14-12(16)11-7-15(2)4-5-18-11/h3,6,8,11,17H,4-5,7,9H2,1-2H3,(H,14,16)
InChIKeyOUUJESGXTCWMBX-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.40
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide (PubChem CID 111720032) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide
PubChem CID111720032
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCC(C)(O)c2ccsc2)C1
InChIInChI=1S/C13H20N2O3S/c1-13(17,10-3-6-19-8-10)9-14-12(16)11-7-15(2)4-5-18-11/h3,6,8,11,17H,4-5,7,9H2,1-2H3,(H,14,16)
InChIKeyOUUJESGXTCWMBX-UHFFFAOYSA-N
XLogP0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide (CID 111720032) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)NCC(C)(O)c2ccsc2)C1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide?
The InChIKey is OUUJESGXTCWMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(17,10-3-6-19-8-10)9-14-12(16)11-7-15(2)4-5-18-11/h3,6,8,11,17H,4-5,7,9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 111720032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).