(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone

C11H15NO2S — CID 103726749

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)(O)C2)s1
InChIInChI=1S/C11H15NO2S/c1-8-3-4-9(15-8)10(13)12-6-5-11(2,14)7-12/h3-4,14H,5-7H2,1-2H3
InChIKeyXHMVSYAOLULPEP-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.65
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 103726749) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID103726749
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)(O)C2)s1
InChIInChI=1S/C11H15NO2S/c1-8-3-4-9(15-8)10(13)12-6-5-11(2,14)7-12/h3-4,14H,5-7H2,1-2H3
InChIKeyXHMVSYAOLULPEP-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164526
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 175659264
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103745626
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
[3-(aminomethyl)-3-(oxan-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 146103629
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706841
2-(4-hydroxy-4-methylazepan-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 107405341
(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013
(2-tert-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820491

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone (CID 103726749) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(C)(O)C2)s1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is XHMVSYAOLULPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-3-4-9(15-8)10(13)12-6-5-11(2,14)7-12/h3-4,14H,5-7H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 225.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 103726749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).