4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide

C13H16N2O3S — CID 83095742

IUPAC4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1cc(C#CCO)cs1
InChIInChI=1S/C13H16N2O3S/c14-13(17)12-8-18-5-3-15(12)7-11-6-10(9-19-11)2-1-4-16/h6,9,12,16H,3-5,7-8H2,(H2,14,17)
InChIKeyBJRSQQXXRGEKRX-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.22
Rot. Bonds3

About 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide

4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 83095742) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide
PubChem CID83095742
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1cc(C#CCO)cs1
InChIInChI=1S/C13H16N2O3S/c14-13(17)12-8-18-5-3-15(12)7-11-6-10(9-19-11)2-1-4-16/h6,9,12,16H,3-5,7-8H2,(H2,14,17)
InChIKeyBJRSQQXXRGEKRX-UHFFFAOYSA-N
XLogP-0.22
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide (CID 83095742) is 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1cc(C#CCO)cs1.
What is the InChIKey of 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is BJRSQQXXRGEKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-13(17)12-8-18-5-3-15(12)7-11-6-10(9-19-11)2-1-4-16/h6,9,12,16H,3-5,7-8H2,(H2,14,17).
What are the key properties of 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide?
4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).