3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

C13H17NO3S — CID 81219294

IUPAC3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CN2CCOC(CO)C2)c1
InChIInChI=1S/C13H17NO3S/c15-4-1-2-11-6-13(18-10-11)8-14-3-5-17-12(7-14)9-16/h6,10,12,15-16H,3-5,7-9H2
InChIKeyQRQXMJXPTMIRFM-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.28
Rot. Bonds3

About 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 81219294) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID81219294
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CN2CCOC(CO)C2)c1
InChIInChI=1S/C13H17NO3S/c15-4-1-2-11-6-13(18-10-11)8-14-3-5-17-12(7-14)9-16/h6,10,12,15-16H,3-5,7-9H2
InChIKeyQRQXMJXPTMIRFM-UHFFFAOYSA-N
XLogP0.28
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81219215
3-[5-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636856
(E)-3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-enoic acid
CID 81219619
(3S,4R)-1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50985347
3-[5-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131909002
3-[5-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131907404
4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine
CID 81210610
1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 62942640
4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide
CID 83095742
[4-(thiadiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 126983215
(3S,4R)-1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134710512
3-[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131900463

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 81219294) is 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1csc(CN2CCOC(CO)C2)c1.
What is the InChIKey of 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is QRQXMJXPTMIRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-4-1-2-11-6-13(18-10-11)8-14-3-5-17-12(7-14)9-16/h6,10,12,15-16H,3-5,7-9H2.
What are the key properties of 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 267.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 81219294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).