[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone

C16H24N2O3S — CID 110011953

IUPAC[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)N2CCOCC2CC(O)c2cccs2)CCCN1
InChIInChI=1S/C16H24N2O3S/c1-16(5-3-6-17-16)15(20)18-7-8-21-11-12(18)10-13(19)14-4-2-9-22-14/h2,4,9,12-13,17,19H,3,5-8,10-11H2,1H3
InChIKeyAULKRYZSRWJXIP-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.54
Rot. Bonds4

About [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone

[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 110011953) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone
PubChem CID110011953
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)N2CCOCC2CC(O)c2cccs2)CCCN1
InChIInChI=1S/C16H24N2O3S/c1-16(5-3-6-17-16)15(20)18-7-8-21-11-12(18)10-13(19)14-4-2-9-22-14/h2,4,9,12-13,17,19H,3,5-8,10-11H2,1H3
InChIKeyAULKRYZSRWJXIP-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride
CID 110012128
(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
CID 122140829
N-(4-hydroxycyclohexyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 71855344
(E)-3-(3-chlorophenyl)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]prop-2-en-1-one
CID 75535810
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 96535699
(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 96535639
2-[4-(2-ethylsulfanylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976091
(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 104596359
2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347736
(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 124734755
2-[4-(3-bromo-5-nitro-2-pyridinyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347831
2-[4-(1,3-benzothiazol-2-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347732

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone (CID 110011953) is [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)N2CCOCC2CC(O)c2cccs2)CCCN1.
What is the InChIKey of [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is AULKRYZSRWJXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(5-3-6-17-16)15(20)18-7-8-21-11-12(18)10-13(19)14-4-2-9-22-14/h2,4,9,12-13,17,19H,3,5-8,10-11H2,1H3.
What are the key properties of [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone?
[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 110011953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).