3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide

C15H24N2O3S — CID 86795795

IUPAC3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NCC(C)c1ccsc1
InChIInChI=1S/C15H24N2O3S/c1-11(13-3-6-21-10-13)8-16-15(19)17-4-5-20-9-14(17)7-12(2)18/h3,6,10-12,14,18H,4-5,7-9H2,1-2H3,(H,16,19)
InChIKeyILZGOFDXAPKNJH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.03
Rot. Bonds5

About 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide

3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide (PubChem CID 86795795) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide
PubChem CID86795795
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NCC(C)c1ccsc1
InChIInChI=1S/C15H24N2O3S/c1-11(13-3-6-21-10-13)8-16-15(19)17-4-5-20-9-14(17)7-12(2)18/h3,6,10-12,14,18H,4-5,7-9H2,1-2H3,(H,16,19)
InChIKeyILZGOFDXAPKNJH-UHFFFAOYSA-N
XLogP2.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide?
The IUPAC name of 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide (CID 86795795) is 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide?
The canonical SMILES for 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide is CC(O)CC1COCCN1C(=O)NCC(C)c1ccsc1.
What is the InChIKey of 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide?
The InChIKey is ILZGOFDXAPKNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(13-3-6-21-10-13)8-16-15(19)17-4-5-20-9-14(17)7-12(2)18/h3,6,10-12,14,18H,4-5,7-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide?
3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-N-(2-thiophen-3-ylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 86795795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).