(5-methylthiophen-3-yl)-piperidin-2-ylmethanone

C11H15NOS — CID 116547920

IUPAC(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
SMILESCc1cc(C(=O)C2CCCCN2)cs1
InChIInChI=1S/C11H15NOS/c1-8-6-9(7-14-8)11(13)10-4-2-3-5-12-10/h6-7,10,12H,2-5H2,1H3
InChIKeyWXTPUEXNGHREMS-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.38
Rot. Bonds2

About (5-methylthiophen-3-yl)-piperidin-2-ylmethanone

(5-methylthiophen-3-yl)-piperidin-2-ylmethanone (PubChem CID 116547920) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
PubChem CID116547920
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
SMILESCc1cc(C(=O)C2CCCCN2)cs1
InChIInChI=1S/C11H15NOS/c1-8-6-9(7-14-8)11(13)10-4-2-3-5-12-10/h6-7,10,12H,2-5H2,1H3
InChIKeyWXTPUEXNGHREMS-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-methylthiophen-3-yl)-piperidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 116609720
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
phenyl(piperidin-2-yl)methanone
CID 19772085
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
azepan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102839506
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-piperidin-2-ylmethanone?
The IUPAC name of (5-methylthiophen-3-yl)-piperidin-2-ylmethanone (CID 116547920) is (5-methylthiophen-3-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (5-methylthiophen-3-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (5-methylthiophen-3-yl)-piperidin-2-ylmethanone is Cc1cc(C(=O)C2CCCCN2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-piperidin-2-ylmethanone?
The InChIKey is WXTPUEXNGHREMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-6-9(7-14-8)11(13)10-4-2-3-5-12-10/h6-7,10,12H,2-5H2,1H3.
What are the key properties of (5-methylthiophen-3-yl)-piperidin-2-ylmethanone?
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone has a molecular weight of 209.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 116547920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).