2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone

C10H13NO2S — CID 71650113

IUPAC2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone
SMILESO=C(CN1CC(CO)C1)c1cccs1
InChIInChI=1S/C10H13NO2S/c12-7-8-4-11(5-8)6-9(13)10-2-1-3-14-10/h1-3,8,12H,4-7H2
InChIKeyPRIAVYLEJVTULV-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.85
Rot. Bonds4

About 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone

2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone (PubChem CID 71650113) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone
PubChem CID71650113
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone
SMILESO=C(CN1CC(CO)C1)c1cccs1
InChIInChI=1S/C10H13NO2S/c12-7-8-4-11(5-8)6-9(13)10-2-1-3-14-10/h1-3,8,12H,4-7H2
InChIKeyPRIAVYLEJVTULV-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 112626449
4-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 60688496
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 114679282
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone
CID 43228957
2-(1,4-diazepan-1-yl)-1-thiophen-2-ylethanone;hydrochloride
CID 71645016
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile
CID 79674560
2-(2-oxo-2-thiophen-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863470
tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-3-yl]methyl]carbamate
CID 71632467
tert-butyl N-[[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]methyl]carbamate
CID 97174464
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 107228085

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone (CID 71650113) is 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone is O=C(CN1CC(CO)C1)c1cccs1.
What is the InChIKey of 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone?
The InChIKey is PRIAVYLEJVTULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-7-8-4-11(5-8)6-9(13)10-2-1-3-14-10/h1-3,8,12H,4-7H2.
What are the key properties of 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone?
2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone has a molecular weight of 211.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 71650113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).