[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone

C10H13NO3S — CID 71785831

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCOCC1CO
InChIInChI=1S/C10H13NO3S/c12-5-9-6-14-3-2-11(9)10(13)8-1-4-15-7-8/h1,4,7,9,12H,2-3,5-6H2
InChIKeyMAWODOKHFIKNFO-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.58
Rot. Bonds2

About [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone

[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone (PubChem CID 71785831) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
PubChem CID71785831
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCOCC1CO
InChIInChI=1S/C10H13NO3S/c12-5-9-6-14-3-2-11(9)10(13)8-1-4-15-7-8/h1,4,7,9,12H,2-3,5-6H2
InChIKeyMAWODOKHFIKNFO-UHFFFAOYSA-N
XLogP0.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 124970486
4-[(3S)-3-(hydroxymethyl)morpholine-4-carbonyl]benzonitrile
CID 97040212
[3,5-bis(trifluoromethyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 71785811
[3,5-bis(trifluoromethyl)phenyl]-[(3S)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040164
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994
[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 126830084

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone (CID 71785831) is [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCOCC1CO.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The InChIKey is MAWODOKHFIKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-5-9-6-14-3-2-11(9)10(13)8-1-4-15-7-8/h1,4,7,9,12H,2-3,5-6H2.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone?
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone has a molecular weight of 227.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 71785831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).