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

C14H19NO3S — CID 81219215

IUPAC4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESOCCC#Cc1csc(CN2CCOC(CO)C2)c1
InChIInChI=1S/C14H19NO3S/c16-5-2-1-3-12-7-14(19-11-12)9-15-4-6-18-13(8-15)10-17/h7,11,13,16-17H,2,4-6,8-10H2
InChIKeyVFVPGEXBIHKFDU-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.68
Rot. Bonds4

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

4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol (PubChem CID 81219215) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
PubChem CID81219215
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESOCCC#Cc1csc(CN2CCOC(CO)C2)c1
InChIInChI=1S/C14H19NO3S/c16-5-2-1-3-12-7-14(19-11-12)9-15-4-6-18-13(8-15)10-17/h7,11,13,16-17H,2,4-6,8-10H2
InChIKeyVFVPGEXBIHKFDU-UHFFFAOYSA-N
XLogP0.68
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.68
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

3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 81219294
7-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096592
4-[5-[(4-methylazepan-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 55249794
1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 103197962
3-[5-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636856
4-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 63159381
(E)-3-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]prop-2-enoic acid
CID 81219619
4-[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107394526
3-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690045
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-(thiadiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 126983215

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol (CID 81219215) is 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol is OCCC#Cc1csc(CN2CCOC(CO)C2)c1.
What is the InChIKey of 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The InChIKey is VFVPGEXBIHKFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-5-2-1-3-12-7-14(19-11-12)9-15-4-6-18-13(8-15)10-17/h7,11,13,16-17H,2,4-6,8-10H2.
What are the key properties of 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol has a molecular weight of 281.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 81219215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).