(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one

C15H24N2O4S — CID 94087835

IUPAC(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one
SMILESCc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)on1
InChIInChI=1S/C15H24N2O4S/c1-10-5-11(2)8-17(7-10)15(18)13(4)22(19,20)9-14-6-12(3)16-21-14/h6,10-11,13H,5,7-9H2,1-4H3/t10-,11+,13-/m0/s1
InChIKeyGKGVWRNXGPMOGR-LOWVWBTDSA-N
MW328.43 g/mol
LogP1.79
Rot. Bonds4

About (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one

(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one (PubChem CID 94087835) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one
PubChem CID94087835
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one
SMILESCc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)on1
InChIInChI=1S/C15H24N2O4S/c1-10-5-11(2)8-17(7-10)15(18)13(4)22(19,20)9-14-6-12(3)16-21-14/h6,10-11,13H,5,7-9H2,1-4H3/t10-,11+,13-/m0/s1
InChIKeyGKGVWRNXGPMOGR-LOWVWBTDSA-N
XLogP1.79
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one 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

(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
CID 94172378
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one
CID 94828313
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(2-methylphenyl)methylsulfonyl]propan-1-one
CID 94828179
3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 48944709
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
CID 94002916
5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123826
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone
CID 94025472
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(1,3-thiazol-2-ylsulfonyl)propan-1-one
CID 94200885
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95322963
3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 94021516

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one?
The IUPAC name of (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one (CID 94087835) is (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one.
What is the SMILES notation for (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one?
The canonical SMILES for (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one is Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)on1.
What is the InChIKey of (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one?
The InChIKey is GKGVWRNXGPMOGR-LOWVWBTDSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-10-5-11(2)8-17(7-10)15(18)13(4)22(19,20)9-14-6-12(3)16-21-14/h6,10-11,13H,5,7-9H2,1-4H3/t10-,11+,13-/m0/s1.
What are the key properties of (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one?
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one has a molecular weight of 328.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one is sourced from PubChem (CID 94087835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).