4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol

C15H21NO3S — CID 102935406

IUPAC4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESCC1CN(Cc2sccc2C#CCCO)CC(CO)O1
InChIInChI=1S/C15H21NO3S/c1-12-8-16(9-14(11-18)19-12)10-15-13(5-7-20-15)4-2-3-6-17/h5,7,12,14,17-18H,3,6,8-11H2,1H3
InChIKeyARXSIEZJMJIPLR-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.06
Rot. Bonds4

About 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol

4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol (PubChem CID 102935406) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
PubChem CID102935406
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESCC1CN(Cc2sccc2C#CCCO)CC(CO)O1
InChIInChI=1S/C15H21NO3S/c1-12-8-16(9-14(11-18)19-12)10-15-13(5-7-20-15)4-2-3-6-17/h5,7,12,14,17-18H,3,6,8-11H2,1H3
InChIKeyARXSIEZJMJIPLR-UHFFFAOYSA-N
XLogP1.06
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.06
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-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol (CID 102935406) is 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol is CC1CN(Cc2sccc2C#CCCO)CC(CO)O1.
What is the InChIKey of 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The InChIKey is ARXSIEZJMJIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-8-16(9-14(11-18)19-12)10-15-13(5-7-20-15)4-2-3-6-17/h5,7,12,14,17-18H,3,6,8-11H2,1H3.
What are the key properties of 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol has a molecular weight of 295.40 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 102935406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).